2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide

C19H27N3O3 — CID 51091250

IUPAC2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H27N3O3/c1-14(23)20-12-17(24)21-13-18(25)22-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-5,8-9,16,19H,3,6-7,10-13H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyDZJJQQQPGXVNLB-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.68
Rot. Bonds7

About 2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide

2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide (PubChem CID 51091250) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
PubChem CID51091250
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H27N3O3/c1-14(23)20-12-17(24)21-13-18(25)22-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-5,8-9,16,19H,3,6-7,10-13H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyDZJJQQQPGXVNLB-UHFFFAOYSA-N
XLogP1.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95312553
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
CID 39594752
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252
N-[(R)-cyclopentyl(phenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2203053

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide (CID 51091250) is 2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide is CC(=O)NCC(=O)NCC(=O)NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide?
The InChIKey is DZJJQQQPGXVNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(23)20-12-17(24)21-13-18(25)22-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-5,8-9,16,19H,3,6-7,10-13H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide?
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 51091250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).