6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide

C18H30N2O — CID 65291538

IUPAC6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide
SMILESCCCCN(C(=O)CCC(C)(C)CCN)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-5-15-20(16-9-7-6-8-10-16)17(21)11-12-18(2,3)13-14-19/h6-10H,4-5,11-15,19H2,1-3H3
InChIKeyJAMMKSMCNFOGSV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.97
Rot. Bonds9

About 6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide

6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide (PubChem CID 65291538) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide.

Molecular Properties

Compound Name6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide
PubChem CID65291538
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide
SMILESCCCCN(C(=O)CCC(C)(C)CCN)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-5-15-20(16-9-7-6-8-10-16)17(21)11-12-18(2,3)13-14-19/h6-10H,4-5,11-15,19H2,1-3H3
InChIKeyJAMMKSMCNFOGSV-UHFFFAOYSA-N
XLogP3.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
3-(N-octanoylanilino)propanoic acid
CID 60831115
pentyl 5-(N-butylanilino)-5-oxopentanoate
CID 91707169
6-amino-N-butyl-N-(2-hydroxyethyl)-4,4-dimethylhexanamide
CID 65290826
6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide
CID 65290924
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
diethyl 2-[2-(N-butylanilino)-2-oxoethyl]propanedioate
CID 135072362
N-butyl-N-phenylprop-2-enamide
CID 43619884
1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide
CID 80599044

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide?
The IUPAC name of 6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide (CID 65291538) is 6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide.
What is the SMILES notation for 6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide?
The canonical SMILES for 6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide is CCCCN(C(=O)CCC(C)(C)CCN)c1ccccc1.
What is the InChIKey of 6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide?
The InChIKey is JAMMKSMCNFOGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-15-20(16-9-7-6-8-10-16)17(21)11-12-18(2,3)13-14-19/h6-10H,4-5,11-15,19H2,1-3H3.
What are the key properties of 6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide?
6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide has a molecular weight of 290.45 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide is sourced from PubChem (CID 65291538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).