(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide

C16H26N2O — CID 103928673

IUPAC(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCCc1ccc(C(C)NC(=O)[C@H](N)C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-6-12-7-9-13(10-8-12)11(2)18-15(19)14(17)16(3,4)5/h7-11,14H,6,17H2,1-5H3,(H,18,19)/t11?,14-/m0/s1
InChIKeyJLZAVOFQZGNEJR-IAXJKZSUSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds4

About (2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 103928673) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID103928673
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCCc1ccc(C(C)NC(=O)[C@H](N)C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-6-12-7-9-13(10-8-12)11(2)18-15(19)14(17)16(3,4)5/h7-11,14H,6,17H2,1-5H3,(H,18,19)/t11?,14-/m0/s1
InChIKeyJLZAVOFQZGNEJR-IAXJKZSUSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928603
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
3-amino-4-[1-(4-ethylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896081
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221
2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
CID 81083669
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide (CID 103928673) is (2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide is CCc1ccc(C(C)NC(=O)[C@H](N)C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is JLZAVOFQZGNEJR-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-12-7-9-13(10-8-12)11(2)18-15(19)14(17)16(3,4)5/h7-11,14H,6,17H2,1-5H3,(H,18,19)/t11?,14-/m0/s1.
What are the key properties of (2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103928673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).