2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide

C12H18N2O2 — CID 81372926

IUPAC2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc([C@@H](C)NC(=O)C(C)N)c1
InChIInChI=1S/C12H18N2O2/c1-8(13)12(15)14-9(2)10-5-4-6-11(7-10)16-3/h4-9H,13H2,1-3H3,(H,14,15)/t8?,9-/m1/s1
InChIKeySXEPRUJFLGDORA-YGPZHTELSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds4

About 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide

2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 81372926) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
PubChem CID81372926
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc([C@@H](C)NC(=O)C(C)N)c1
InChIInChI=1S/C12H18N2O2/c1-8(13)12(15)14-9(2)10-5-4-6-11(7-10)16-3/h4-9H,13H2,1-3H3,(H,14,15)/t8?,9-/m1/s1
InChIKeySXEPRUJFLGDORA-YGPZHTELSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanediamide
CID 81373933
2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81373712
4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
CID 64889104
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 60934244
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide (CID 81372926) is 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide is COc1cccc([C@@H](C)NC(=O)C(C)N)c1.
What is the InChIKey of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is SXEPRUJFLGDORA-YGPZHTELSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(13)12(15)14-9(2)10-5-4-6-11(7-10)16-3/h4-9H,13H2,1-3H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide?
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 81372926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).