2-acetamido-N-benzyl-4-phenylmethoxybutanamide

C20H24N2O3 — CID 123170982

IUPAC2-acetamido-N-benzyl-4-phenylmethoxybutanamide
SMILESCC(=O)NC(CCOCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-16(23)22-19(12-13-25-15-18-10-6-3-7-11-18)20(24)21-14-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,21,24)(H,22,23)
InChIKeyAPKYEHSPQUSKDZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.41
Rot. Bonds9

About 2-acetamido-N-benzyl-4-phenylmethoxybutanamide

2-acetamido-N-benzyl-4-phenylmethoxybutanamide (PubChem CID 123170982) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-4-phenylmethoxybutanamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-4-phenylmethoxybutanamide
PubChem CID123170982
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-acetamido-N-benzyl-4-phenylmethoxybutanamide
SMILESCC(=O)NC(CCOCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-16(23)22-19(12-13-25-15-18-10-6-3-7-11-18)20(24)21-14-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,21,24)(H,22,23)
InChIKeyAPKYEHSPQUSKDZ-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetamido-4-phenylmethoxybutanoic acid
CID 129322933
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide
CID 44543282
(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide
CID 44543285
(2R)-2-acetamido-N-benzyl-3-(benzyldisulfanyl)propanamide
CID 102043629
2-acetamido-N-benzyl-2-(hydroxyamino)acetamide
CID 14860703
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
benzyl N-[(2R)-3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 66870075
benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 77199497

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-4-phenylmethoxybutanamide?
The IUPAC name of 2-acetamido-N-benzyl-4-phenylmethoxybutanamide (CID 123170982) is 2-acetamido-N-benzyl-4-phenylmethoxybutanamide.
What is the SMILES notation for 2-acetamido-N-benzyl-4-phenylmethoxybutanamide?
The canonical SMILES for 2-acetamido-N-benzyl-4-phenylmethoxybutanamide is CC(=O)NC(CCOCc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of 2-acetamido-N-benzyl-4-phenylmethoxybutanamide?
The InChIKey is APKYEHSPQUSKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16(23)22-19(12-13-25-15-18-10-6-3-7-11-18)20(24)21-14-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-acetamido-N-benzyl-4-phenylmethoxybutanamide?
2-acetamido-N-benzyl-4-phenylmethoxybutanamide has a molecular weight of 340.42 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-4-phenylmethoxybutanamide is sourced from PubChem (CID 123170982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).