3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide

C19H30N2O — CID 109031581

IUPAC3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCNC1CCCCCC1
InChIInChI=1S/C19H30N2O/c1-15(2)17-11-7-8-12-18(17)21-19(22)13-14-20-16-9-5-3-4-6-10-16/h7-8,11-12,15-16,20H,3-6,9-10,13-14H2,1-2H3,(H,21,22)
InChIKeyATLIJFCIAQUISE-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.45
Rot. Bonds6

About 3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide

3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 109031581) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID109031581
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCNC1CCCCCC1
InChIInChI=1S/C19H30N2O/c1-15(2)17-11-7-8-12-18(17)21-19(22)13-14-20-16-9-5-3-4-6-10-16/h7-8,11-12,15-16,20H,3-6,9-10,13-14H2,1-2H3,(H,21,22)
InChIKeyATLIJFCIAQUISE-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 109014255
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CID 109031466
N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
CID 109014020
3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
CID 109014195
2-[acetyl(cyclohexyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113159511
3-(cyclopropylamino)-N-(2-ethylphenyl)propanamide
CID 60842650
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-propan-2-ylphenyl)butanediamide
CID 1409643
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide (CID 109031581) is 3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)CCNC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is ATLIJFCIAQUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(2)17-11-7-8-12-18(17)21-19(22)13-14-20-16-9-5-3-4-6-10-16/h7-8,11-12,15-16,20H,3-6,9-10,13-14H2,1-2H3,(H,21,22).
What are the key properties of 3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide?
3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 302.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109031581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).