4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide

C17H29N3O — CID 63324351

IUPAC4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide
SMILESCC(C)C(CN(C)C)NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-13(2)16(12-20(3)4)19-17(21)11-10-15(18)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12,18H2,1-4H3,(H,19,21)
InChIKeyQQEGKOFHSVSNQA-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.17
Rot. Bonds8

About 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide

4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide (PubChem CID 63324351) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide
PubChem CID63324351
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide
SMILESCC(C)C(CN(C)C)NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-13(2)16(12-20(3)4)19-17(21)11-10-15(18)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12,18H2,1-4H3,(H,19,21)
InChIKeyQQEGKOFHSVSNQA-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
CID 103810708
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
methyl 2-[(4-amino-4-phenylbutanoyl)amino]-3-methylbutanoate
CID 63324348
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 63842319
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide
CID 86929497
4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
CID 63324031
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 63324335
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide (CID 63324351) is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide is CC(C)C(CN(C)C)NC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide?
The InChIKey is QQEGKOFHSVSNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)16(12-20(3)4)19-17(21)11-10-15(18)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12,18H2,1-4H3,(H,19,21).
What are the key properties of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide?
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide has a molecular weight of 291.44 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide is sourced from PubChem (CID 63324351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).