(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide

C18H31N3O — CID 119399219

IUPAC(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
SMILESCCN(CC)C(CNC(=O)[C@@H](N)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H31N3O/c1-6-21(7-2)15(14-11-9-8-10-12-14)13-20-17(22)16(19)18(3,4)5/h8-12,15-16H,6-7,13,19H2,1-5H3,(H,20,22)/t15?,16-/m1/s1
InChIKeyPDLLXUWMDJPZBU-OEMAIJDKSA-N
MW305.47 g/mol
LogP2.56
Rot. Bonds7

About (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide (PubChem CID 119399219) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
PubChem CID119399219
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
SMILESCCN(CC)C(CNC(=O)[C@@H](N)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H31N3O/c1-6-21(7-2)15(14-11-9-8-10-12-14)13-20-17(22)16(19)18(3,4)5/h8-12,15-16H,6-7,13,19H2,1-5H3,(H,20,22)/t15?,16-/m1/s1
InChIKeyPDLLXUWMDJPZBU-OEMAIJDKSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
CID 61148338
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-2-sulfanylbutanamide
CID 107020130
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-methylpentanamide
CID 75386938
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide
CID 119885709
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide
CID 43046291
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide (CID 119399219) is (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide is CCN(CC)C(CNC(=O)[C@@H](N)C(C)(C)C)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide?
The InChIKey is PDLLXUWMDJPZBU-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H31N3O/c1-6-21(7-2)15(14-11-9-8-10-12-14)13-20-17(22)16(19)18(3,4)5/h8-12,15-16H,6-7,13,19H2,1-5H3,(H,20,22)/t15?,16-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide has a molecular weight of 305.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119399219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).