N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide

C15H25N3O — CID 119528234

IUPACN-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC(N)c1ccccc1)N(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)14(18(3)4)15(19)17-10-13(16)12-8-6-5-7-9-12/h5-9,11,13-14H,10,16H2,1-4H3,(H,17,19)
InChIKeyNZKXVTRGMCUARB-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.39
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide

N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide (PubChem CID 119528234) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
PubChem CID119528234
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC(N)c1ccccc1)N(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)14(18(3)4)15(19)17-10-13(16)12-8-6-5-7-9-12/h5-9,11,13-14H,10,16H2,1-4H3,(H,17,19)
InChIKeyNZKXVTRGMCUARB-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
CID 119527892
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119529498
2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
CID 111112176
N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119527674
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide
CID 61251084
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481
2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
CID 111334765

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide (CID 119528234) is N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide is CC(C)C(C(=O)NCC(N)c1ccccc1)N(C)C.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide?
The InChIKey is NZKXVTRGMCUARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)14(18(3)4)15(19)17-10-13(16)12-8-6-5-7-9-12/h5-9,11,13-14H,10,16H2,1-4H3,(H,17,19).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide?
N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide is sourced from PubChem (CID 119528234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).