3-(1-phenylhexylamino)-N-propan-2-ylpropanamide

C18H30N2O — CID 115709150

IUPAC3-(1-phenylhexylamino)-N-propan-2-ylpropanamide
SMILESCCCCCC(NCCC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-5-7-12-17(16-10-8-6-9-11-16)19-14-13-18(21)20-15(2)3/h6,8-11,15,17,19H,4-5,7,12-14H2,1-3H3,(H,20,21)
InChIKeyFQRFJSJLTSIADM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.81
Rot. Bonds10

About 3-(1-phenylhexylamino)-N-propan-2-ylpropanamide

3-(1-phenylhexylamino)-N-propan-2-ylpropanamide (PubChem CID 115709150) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(1-phenylhexylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(1-phenylhexylamino)-N-propan-2-ylpropanamide
PubChem CID115709150
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(1-phenylhexylamino)-N-propan-2-ylpropanamide
SMILESCCCCCC(NCCC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-5-7-12-17(16-10-8-6-9-11-16)19-14-13-18(21)20-15(2)3/h6,8-11,15,17,19H,4-5,7,12-14H2,1-3H3,(H,20,21)
InChIKeyFQRFJSJLTSIADM-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.81
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

3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
N-pentyl-1-phenyldecan-1-amine
CID 10380274
1-phenylhexylcarbamic acid
CID 21477897
N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide
CID 60849585
1-phenyloctylcarbamic acid
CID 90271204
1-phenylnonylcarbamic acid
CID 67252081
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-tert-butyl-3-(1-phenylbutylamino)propanamide
CID 115605323
4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylhexylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(1-phenylhexylamino)-N-propan-2-ylpropanamide (CID 115709150) is 3-(1-phenylhexylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(1-phenylhexylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(1-phenylhexylamino)-N-propan-2-ylpropanamide is CCCCCC(NCCC(=O)NC(C)C)c1ccccc1.
What is the InChIKey of 3-(1-phenylhexylamino)-N-propan-2-ylpropanamide?
The InChIKey is FQRFJSJLTSIADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-7-12-17(16-10-8-6-9-11-16)19-14-13-18(21)20-15(2)3/h6,8-11,15,17,19H,4-5,7,12-14H2,1-3H3,(H,20,21).
What are the key properties of 3-(1-phenylhexylamino)-N-propan-2-ylpropanamide?
3-(1-phenylhexylamino)-N-propan-2-ylpropanamide has a molecular weight of 290.45 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylhexylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 115709150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).