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

C18H28N2O — CID 109014020

IUPACN-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccccc1NCCC(=O)NC1CCCCC1
InChIInChI=1S/C18H28N2O/c1-14(2)16-10-6-7-11-17(16)19-13-12-18(21)20-15-8-4-3-5-9-15/h6-7,10-11,14-15,19H,3-5,8-9,12-13H2,1-2H3,(H,20,21)
InChIKeyOZKMEOXKUNPJJI-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds6

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

N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide (PubChem CID 109014020) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
PubChem CID109014020
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccccc1NCCC(=O)NC1CCCCC1
InChIInChI=1S/C18H28N2O/c1-14(2)16-10-6-7-11-17(16)19-13-12-18(21)20-15-8-4-3-5-9-15/h6-7,10-11,14-15,19H,3-5,8-9,12-13H2,1-2H3,(H,20,21)
InChIKeyOZKMEOXKUNPJJI-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
CID 109031466
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-cyclohexyl-3-(2-propan-2-ylanilino)propanamide?
The IUPAC name of N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide (CID 109014020) is N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide?
The canonical SMILES for N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide is CC(C)c1ccccc1NCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide?
The InChIKey is OZKMEOXKUNPJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)16-10-6-7-11-17(16)19-13-12-18(21)20-15-8-4-3-5-9-15/h6-7,10-11,14-15,19H,3-5,8-9,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide?
N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide has a molecular weight of 288.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109014020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).