N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide

C19H30N2O — CID 109031466

IUPACN-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccccc1NCCC(=O)NC1CCCCCC1
InChIInChI=1S/C19H30N2O/c1-15(2)17-11-7-8-12-18(17)20-14-13-19(22)21-16-9-5-3-4-6-10-16/h7-8,11-12,15-16,20H,3-6,9-10,13-14H2,1-2H3,(H,21,22)
InChIKeySGNVNABJXXUFQY-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.45
Rot. Bonds6

About N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide

N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide (PubChem CID 109031466) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
PubChem CID109031466
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccccc1NCCC(=O)NC1CCCCCC1
InChIInChI=1S/C19H30N2O/c1-15(2)17-11-7-8-12-18(17)20-14-13-19(22)21-16-9-5-3-4-6-10-16/h7-8,11-12,15-16,20H,3-6,9-10,13-14H2,1-2H3,(H,21,22)
InChIKeySGNVNABJXXUFQY-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

N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
CID 109014020
N-cyclohexyl-3-(2-ethylanilino)propanamide
CID 109014016
3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109031581
N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109011766
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]acetamide
CID 108993678
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109031514
N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide
CID 109020135
N-cyclohexyl-3-(2,6-diethylanilino)propanamide
CID 109014023
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide?
The IUPAC name of N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide (CID 109031466) is N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide?
The canonical SMILES for N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide is CC(C)c1ccccc1NCCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide?
The InChIKey is SGNVNABJXXUFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(2)17-11-7-8-12-18(17)20-14-13-19(22)21-16-9-5-3-4-6-10-16/h7-8,11-12,15-16,20H,3-6,9-10,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide?
N-cycloheptyl-3-(2-propan-2-ylanilino)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 N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109031466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).