4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide

C22H34N4O2 — CID 56557543

IUPAC4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide
SMILESCC1CCN(c2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2)C1
InChIInChI=1S/C22H34N4O2/c1-17-13-15-26(16-17)20-11-9-19(10-12-20)24-21(27)8-5-14-23-22(28)25-18-6-3-2-4-7-18/h9-12,17-18H,2-8,13-16H2,1H3,(H,24,27)(H2,23,25,28)
InChIKeySHZJDYAEDMJOSA-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.88
Rot. Bonds7

About 4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide (PubChem CID 56557543) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide
PubChem CID56557543
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide
SMILESCC1CCN(c2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2)C1
InChIInChI=1S/C22H34N4O2/c1-17-13-15-26(16-17)20-11-9-19(10-12-20)24-21(27)8-5-14-23-22(28)25-18-6-3-2-4-7-18/h9-12,17-18H,2-8,13-16H2,1H3,(H,24,27)(H2,23,25,28)
InChIKeySHZJDYAEDMJOSA-UHFFFAOYSA-N
XLogP3.88
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
4-(cyclohexylcarbamoylamino)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 55652195
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
2-bromo-5-fluoro-N-[3-[4-(3-methylpyrrolidin-1-yl)anilino]-3-oxopropyl]benzamide
CID 56556179
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556229
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 55389157
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide (CID 56557543) is 4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide is CC1CCN(c2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2)C1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide?
The InChIKey is SHZJDYAEDMJOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-17-13-15-26(16-17)20-11-9-19(10-12-20)24-21(27)8-5-14-23-22(28)25-18-6-3-2-4-7-18/h9-12,17-18H,2-8,13-16H2,1H3,(H,24,27)(H2,23,25,28).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide has a molecular weight of 386.54 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 56557543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).