2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide

C18H28N2O — CID 28650865

IUPAC2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-14(2)18(21)20-13-12-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,14,16-17,19H,8-13H2,1-2H3,(H,20,21)
InChIKeyCUXSWDWHKKALFA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.07
Rot. Bonds6

About 2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide

2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide (PubChem CID 28650865) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
PubChem CID28650865
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-14(2)18(21)20-13-12-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,14,16-17,19H,8-13H2,1-2H3,(H,20,21)
InChIKeyCUXSWDWHKKALFA-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenylcyclohexyl)amino]ethylurea
CID 83111311
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 115572811
N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 60925916
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide
CID 5214532
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
CID 115584682
4-[(4-phenylcyclohexyl)amino]butan-1-ol
CID 106841006
N-(2-methylbutyl)-4-phenylcyclohexan-1-amine
CID 43673843

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide (CID 28650865) is 2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide is CC(C)C(=O)NCCNC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide?
The InChIKey is CUXSWDWHKKALFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)18(21)20-13-12-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,14,16-17,19H,8-13H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide?
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide is sourced from PubChem (CID 28650865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).