(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide

C13H18N2O3 — CID 34819984

IUPAC(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)[C@H](C)NC(C)=O)c1
InChIInChI=1S/C13H18N2O3/c1-9(15-10(2)16)13(17)14-8-11-5-4-6-12(7-11)18-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyZIMHCCOQKZADPH-VIFPVBQESA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds5

About (2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide

(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 34819984) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID34819984
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)[C@H](C)NC(C)=O)c1
InChIInChI=1S/C13H18N2O3/c1-9(15-10(2)16)13(17)14-8-11-5-4-6-12(7-11)18-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyZIMHCCOQKZADPH-VIFPVBQESA-N
XLogP0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 9495719
2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid
CID 119246914
2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 55205235
N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682489
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]propanoate
CID 7529441
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide (CID 34819984) is (2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)[C@H](C)NC(C)=O)c1.
What is the InChIKey of (2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is ZIMHCCOQKZADPH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(15-10(2)16)13(17)14-8-11-5-4-6-12(7-11)18-3/h4-7,9H,8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide?
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 34819984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).