N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide

C34H44N6O4 — CID 71234414

IUPACN-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESCc1ccccc1N1CCN(c2ccc(C(=O)NCCCNC(=O)NCC3CCCCC3)cc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C34H44N6O4/c1-25-9-5-6-12-29(25)39-18-20-40(21-19-39)30-15-14-27(23-28(30)38-33(42)31-13-7-22-44-31)32(41)35-16-8-17-36-34(43)37-24-26-10-3-2-4-11-26/h5-7,9,12-15,22-23,26H,2-4,8,10-11,16-21,24H2,1H3,(H,35,41)(H,38,42)(H2,36,37,43)
InChIKeyHWUOGENQQFPOGM-UHFFFAOYSA-N
MW600.76 g/mol
LogP5.17
Rot. Bonds11

About N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide

N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 71234414) has the molecular formula C34H44N6O4 and a molecular weight of 600.76 g/mol. Its IUPAC name is N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
PubChem CID71234414
Molecular FormulaC34H44N6O4
Molecular Weight600.76 g/mol
Exact Mass600.34
IUPAC NameN-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESCc1ccccc1N1CCN(c2ccc(C(=O)NCCCNC(=O)NCC3CCCCC3)cc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C34H44N6O4/c1-25-9-5-6-12-29(25)39-18-20-40(21-19-39)30-15-14-27(23-28(30)38-33(42)31-13-7-22-44-31)32(41)35-16-8-17-36-34(43)37-24-26-10-3-2-4-11-26/h5-7,9,12-15,22-23,26H,2-4,8,10-11,16-21,24H2,1H3,(H,35,41)(H,38,42)(H2,36,37,43)
InChIKeyHWUOGENQQFPOGM-UHFFFAOYSA-N
XLogP5.17
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(prop-2-enylcarbamoylamino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 71488103
N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 126498858
N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 71233971
N-[2-[4-(2-methylphenyl)piperidin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 90676909
tert-butyl N-[3-[[3-[(5-ethylfuran-2-carbonyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]benzoyl]amino]propyl]carbamate
CID 71226617
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 126498755
tert-butyl N-[6-[[3-[(5-methylfuran-2-carbonyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]benzoyl]amino]hexyl]carbamate
CID 71236149
N-[5-(butylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 130372949
N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 148723104
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)phenyl]furan-2-carboxamide
CID 71234531
5-bromo-N-[5-[3-(2,5-dihydroxypyrrol-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 123310777
5-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 71234024

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide (CID 71234414) is N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide is Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCNC(=O)NCC3CCCCC3)cc2NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is HWUOGENQQFPOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6O4/c1-25-9-5-6-12-29(25)39-18-20-40(21-19-39)30-15-14-27(23-28(30)38-33(42)31-13-7-22-44-31)32(41)35-16-8-17-36-34(43)37-24-26-10-3-2-4-11-26/h5-7,9,12-15,22-23,26H,2-4,8,10-11,16-21,24H2,1H3,(H,35,41)(H,38,42)(H2,36,37,43).
What are the key properties of N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 600.76 g/mol, XLogP of 5.17, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 71234414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).