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

C17H29N3O — CID 61148338

IUPAC(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
SMILESCCN(CC)C(CNC(=O)[C@@H](N)C(C)C)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-5-20(6-2)15(14-10-8-7-9-11-14)12-19-17(21)16(18)13(3)4/h7-11,13,15-16H,5-6,12,18H2,1-4H3,(H,19,21)/t15?,16-/m0/s1
InChIKeyNKNPTKJHUIYICW-LYKKTTPLSA-N
MW291.44 g/mol
LogP2.17
Rot. Bonds8

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

(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide (PubChem CID 61148338) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
PubChem CID61148338
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
SMILESCCN(CC)C(CNC(=O)[C@@H](N)C(C)C)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-5-20(6-2)15(14-10-8-7-9-11-14)12-19-17(21)16(18)13(3)4/h7-11,13,15-16H,5-6,12,18H2,1-4H3,(H,19,21)/t15?,16-/m0/s1
InChIKeyNKNPTKJHUIYICW-LYKKTTPLSA-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

2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
CID 119399219
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
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
4-bromo-N-[(2S)-1-[[(2R)-2-(diethylamino)-2-phenylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 25471623
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide (CID 61148338) is (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide is CCN(CC)C(CNC(=O)[C@@H](N)C(C)C)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide?
The InChIKey is NKNPTKJHUIYICW-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-20(6-2)15(14-10-8-7-9-11-14)12-19-17(21)16(18)13(3)4/h7-11,13,15-16H,5-6,12,18H2,1-4H3,(H,19,21)/t15?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide 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 (2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide is sourced from PubChem (CID 61148338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).