(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide

C16H26N2O2 — CID 103928736

IUPAC(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
SMILESCCC(NC(=O)[C@H](N)C(C)(C)C)c1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-6-12(11-9-7-8-10-13(11)20-5)18-15(19)14(17)16(2,3)4/h7-10,12,14H,6,17H2,1-5H3,(H,18,19)/t12?,14-/m0/s1
InChIKeyYVNOOEULHYVMKU-PYMCNQPYSA-N
MW278.40 g/mol
LogP2.64
Rot. Bonds5

About (2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide (PubChem CID 103928736) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
PubChem CID103928736
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
SMILESCCC(NC(=O)[C@H](N)C(C)(C)C)c1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-6-12(11-9-7-8-10-13(11)20-5)18-15(19)14(17)16(2,3)4/h7-10,12,14H,6,17H2,1-5H3,(H,18,19)/t12?,14-/m0/s1
InChIKeyYVNOOEULHYVMKU-PYMCNQPYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
2-(ethylamino)-N-[1-(2-methoxyphenyl)propyl]-2-methylpropanamide
CID 62833066
4-[1-(2-methoxyphenyl)propylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992983
methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate
CID 43787124
(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
CID 38839315
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
CID 120502168
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide (CID 103928736) is (2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide is CCC(NC(=O)[C@H](N)C(C)(C)C)c1ccccc1OC.
What is the InChIKey of (2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide?
The InChIKey is YVNOOEULHYVMKU-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-12(11-9-7-8-10-13(11)20-5)18-15(19)14(17)16(2,3)4/h7-10,12,14H,6,17H2,1-5H3,(H,18,19)/t12?,14-/m0/s1.
What are the key properties of (2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103928736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).