N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide

C21H27N3O4 — CID 46410154

IUPACN-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccc(CN2CCCN(C(=O)CCNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H27N3O4/c1-27-18-7-5-17(6-8-18)16-23-11-3-12-24(14-13-23)20(25)9-10-22-21(26)19-4-2-15-28-19/h2,4-8,15H,3,9-14,16H2,1H3,(H,22,26)
InChIKeyQTEYOEMFNZWFLN-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.14
Rot. Bonds7

About N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide

N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide (PubChem CID 46410154) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide
PubChem CID46410154
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccc(CN2CCCN(C(=O)CCNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H27N3O4/c1-27-18-7-5-17(6-8-18)16-23-11-3-12-24(14-13-23)20(25)9-10-22-21(26)19-4-2-15-28-19/h2,4-8,15H,3,9-14,16H2,1H3,(H,22,26)
InChIKeyQTEYOEMFNZWFLN-UHFFFAOYSA-N
XLogP2.14
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]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-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 43044219
furan-2-yl-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56810704
1-benzyl-3-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-1-methylurea
CID 56516624
N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 9077292
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
N-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 51288044
N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 6736612
N-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 42920543
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 2594758
3-(4-chlorophenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 55712977
2-[1-[3-(furan-2-carbonylamino)propanoyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154872226
N-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide (CID 46410154) is N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide is COc1ccc(CN2CCCN(C(=O)CCNC(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is QTEYOEMFNZWFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-27-18-7-5-17(6-8-18)16-23-11-3-12-24(14-13-23)20(25)9-10-22-21(26)19-4-2-15-28-19/h2,4-8,15H,3,9-14,16H2,1H3,(H,22,26).
What are the key properties of N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide?
N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 46410154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).