(2R)-2-acetamido-N-(2-phenylethoxy)propanamide

C13H18N2O3 — CID 87633799

IUPAC(2R)-2-acetamido-N-(2-phenylethoxy)propanamide
SMILESCC(=O)N[C@H](C)C(=O)NOCCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(14-11(2)16)13(17)15-18-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyFQVMJVCFELESBG-SNVBAGLBSA-N
MW250.30 g/mol
LogP0.80
Rot. Bonds6

About (2R)-2-acetamido-N-(2-phenylethoxy)propanamide

(2R)-2-acetamido-N-(2-phenylethoxy)propanamide (PubChem CID 87633799) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(2-phenylethoxy)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(2-phenylethoxy)propanamide
PubChem CID87633799
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2R)-2-acetamido-N-(2-phenylethoxy)propanamide
SMILESCC(=O)N[C@H](C)C(=O)NOCCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(14-11(2)16)13(17)15-18-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyFQVMJVCFELESBG-SNVBAGLBSA-N
XLogP0.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
methyl (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-phenylpropanoate
CID 11140872
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
CID 167881272
tert-butyl (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-phenylpropanoate
CID 101227384
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
2-[(2-acetamidopropanoylamino)methyl]-3-phenylpropanoic acid
CID 119234020
(2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide
CID 57147661
2-acetamido-4-phenylbutanamide
CID 67451841
(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]-3-phenylpropanamide
CID 101137790
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 134824756

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(2-phenylethoxy)propanamide?
The IUPAC name of (2R)-2-acetamido-N-(2-phenylethoxy)propanamide (CID 87633799) is (2R)-2-acetamido-N-(2-phenylethoxy)propanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(2-phenylethoxy)propanamide?
The canonical SMILES for (2R)-2-acetamido-N-(2-phenylethoxy)propanamide is CC(=O)N[C@H](C)C(=O)NOCCc1ccccc1.
What is the InChIKey of (2R)-2-acetamido-N-(2-phenylethoxy)propanamide?
The InChIKey is FQVMJVCFELESBG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(14-11(2)16)13(17)15-18-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(2-phenylethoxy)propanamide?
(2R)-2-acetamido-N-(2-phenylethoxy)propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(2-phenylethoxy)propanamide is sourced from PubChem (CID 87633799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).