N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide

C22H34N4O3 — CID 60515741

IUPACN-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CCCNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H34N4O3/c1-2-7-21(28)25-19-13-11-17(12-14-19)16-24-20(27)10-6-15-23-22(29)26-18-8-4-3-5-9-18/h11-14,18H,2-10,15-16H2,1H3,(H,24,27)(H,25,28)(H2,23,26,29)
InChIKeyVUCXZCCFTGKNMZ-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.45
Rot. Bonds10

About N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide

N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide (PubChem CID 60515741) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
PubChem CID60515741
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CCCNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H34N4O3/c1-2-7-21(28)25-19-13-11-17(12-14-19)16-24-20(27)10-6-15-23-22(29)26-18-8-4-3-5-9-18/h11-14,18H,2-10,15-16H2,1H3,(H,24,27)(H,25,28)(H2,23,26,29)
InChIKeyVUCXZCCFTGKNMZ-UHFFFAOYSA-N
XLogP3.45
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 18146757
4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide
CID 56557543
6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
CID 87018702
N-[4-(cyclohexylamino)phenyl]pentanamide
CID 112980712
1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea
CID 55513953
3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46417626
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 47057603
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 86921824
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632

Frequently Asked Questions

What is the IUPAC name of N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide?
The IUPAC name of N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide (CID 60515741) is N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide.
What is the SMILES notation for N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide?
The canonical SMILES for N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide is CCCC(=O)Nc1ccc(CNC(=O)CCCNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide?
The InChIKey is VUCXZCCFTGKNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-2-7-21(28)25-19-13-11-17(12-14-19)16-24-20(27)10-6-15-23-22(29)26-18-8-4-3-5-9-18/h11-14,18H,2-10,15-16H2,1H3,(H,24,27)(H,25,28)(H2,23,26,29).
What are the key properties of N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide?
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide has a molecular weight of 402.54 g/mol, XLogP of 3.45, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide is sourced from PubChem (CID 60515741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).