2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H28N4O3 — CID 42770452

IUPAC2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cccc(NC(=O)N(CC(=O)Nc2cc(C)on2)CC2CCCCC2)c1
InChIInChI=1S/C21H28N4O3/c1-15-7-6-10-18(11-15)22-21(27)25(13-17-8-4-3-5-9-17)14-20(26)23-19-12-16(2)28-24-19/h6-7,10-12,17H,3-5,8-9,13-14H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyNWVBKOONLNRHLO-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.34
Rot. Bonds6

About 2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42770452) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID42770452
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cccc(NC(=O)N(CC(=O)Nc2cc(C)on2)CC2CCCCC2)c1
InChIInChI=1S/C21H28N4O3/c1-15-7-6-10-18(11-15)22-21(27)25(13-17-8-4-3-5-9-17)14-20(26)23-19-12-16(2)28-24-19/h6-7,10-12,17H,3-5,8-9,13-14H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyNWVBKOONLNRHLO-UHFFFAOYSA-N
XLogP4.34
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 5122047
2-[cyclohexylmethyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4675007
2-[(2-chloroacetyl)-(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770361
2-[1-adamantylcarbamoyl(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3371998
2-[cyclohexylmethyl-(2-methoxyacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770388
4-chloro-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770365
N-(cyclohexylmethyl)-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770363
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 814627
ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 42770380
4-butyl-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770379
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814628
N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4123267

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42770452) is 2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cccc(NC(=O)N(CC(=O)Nc2cc(C)on2)CC2CCCCC2)c1.
What is the InChIKey of 2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is NWVBKOONLNRHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15-7-6-10-18(11-15)22-21(27)25(13-17-8-4-3-5-9-17)14-20(26)23-19-12-16(2)28-24-19/h6-7,10-12,17H,3-5,8-9,13-14H2,1-2H3,(H,22,27)(H,23,24,26).
What are the key properties of 2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42770452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).