2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide

C14H22N2O2 — CID 81387944

IUPAC2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)C(N)C(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)13(15)14(17)16-10(3)11-7-5-6-8-12(11)18-4/h5-10,13H,15H2,1-4H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyRXJOKYLXSLFPPY-NKUHCKNESA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide

2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide (PubChem CID 81387944) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
PubChem CID81387944
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)C(N)C(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)13(15)14(17)16-10(3)11-7-5-6-8-12(11)18-4/h5-10,13H,15H2,1-4H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyRXJOKYLXSLFPPY-NKUHCKNESA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride
CID 119955956
4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81387858
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387150
2-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 65229535
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81387704

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide (CID 81387944) is 2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide is COc1ccccc1[C@H](C)NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide?
The InChIKey is RXJOKYLXSLFPPY-NKUHCKNESA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)13(15)14(17)16-10(3)11-7-5-6-8-12(11)18-4/h5-10,13H,15H2,1-4H3,(H,16,17)/t10-,13?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide?
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 81387944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).