3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C21H32N2O — CID 109014720

IUPAC3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(C)(C)c1ccccc1NCCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C21H32N2O/c1-21(2,3)18-11-7-8-12-19(18)22-16-14-20(24)23-15-13-17-9-5-4-6-10-17/h7-9,11-12,22H,4-6,10,13-16H2,1-3H3,(H,23,24)
InChIKeySTOSEFPSTUVSFN-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.79
Rot. Bonds7

About 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 109014720) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID109014720
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(C)(C)c1ccccc1NCCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C21H32N2O/c1-21(2,3)18-11-7-8-12-19(18)22-16-14-20(24)23-15-13-17-9-5-4-6-10-17/h7-9,11-12,22H,4-6,10,13-16H2,1-3H3,(H,23,24)
InChIKeySTOSEFPSTUVSFN-UHFFFAOYSA-N
XLogP4.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide 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

ethyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109014793
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109014741
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 56786800
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
CID 109014767
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 109014720) is 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is CC(C)(C)c1ccccc1NCCC(=O)NCCC1=CCCCC1.
What is the InChIKey of 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is STOSEFPSTUVSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-21(2,3)18-11-7-8-12-19(18)22-16-14-20(24)23-15-13-17-9-5-4-6-10-17/h7-9,11-12,22H,4-6,10,13-16H2,1-3H3,(H,23,24).
What are the key properties of 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 328.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 109014720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).