4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide

C15H25N3O — CID 81087504

IUPAC4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C15H25N3O/c1-12(10-16)9-15(19)17-11-14(18(2)3)13-7-5-4-6-8-13/h4-8,12,14H,9-11,16H2,1-3H3,(H,17,19)
InChIKeyCDUNEQRLKJTXOK-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.39
Rot. Bonds7

About 4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide

4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide (PubChem CID 81087504) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
PubChem CID81087504
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C15H25N3O/c1-12(10-16)9-15(19)17-11-14(18(2)3)13-7-5-4-6-8-13/h4-8,12,14H,9-11,16H2,1-3H3,(H,17,19)
InChIKeyCDUNEQRLKJTXOK-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]acetamide
CID 61251719
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51195418
7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
CID 119828718
2-(benzhydrylamino)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112799826
(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 39869905
ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate
CID 60638012
4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride
CID 120586284
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
N-[2-(dimethylamino)-2-phenylethyl]-2-(propylamino)acetamide
CID 60687431

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide (CID 81087504) is 4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide is CC(CN)CC(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide?
The InChIKey is CDUNEQRLKJTXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(10-16)9-15(19)17-11-14(18(2)3)13-7-5-4-6-8-13/h4-8,12,14H,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide?
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide is sourced from PubChem (CID 81087504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).