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

C22H30N4O3 — CID 5122047

IUPAC2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cccc(NC(=O)N(CC(=O)Nc2cc(C)on2)CC2CCCCC2)c1
InChIInChI=1S/C22H30N4O3/c1-3-17-10-7-11-19(13-17)23-22(28)26(14-18-8-5-4-6-9-18)15-21(27)24-20-12-16(2)29-25-20/h7,10-13,18H,3-6,8-9,14-15H2,1-2H3,(H,23,28)(H,24,25,27)
InChIKeyKRNJNERWHBVSBR-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.60
Rot. Bonds7

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

2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 5122047) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID5122047
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cccc(NC(=O)N(CC(=O)Nc2cc(C)on2)CC2CCCCC2)c1
InChIInChI=1S/C22H30N4O3/c1-3-17-10-7-11-19(13-17)23-22(28)26(14-18-8-5-4-6-9-18)15-21(27)24-20-12-16(2)29-25-20/h7,10-13,18H,3-6,8-9,14-15H2,1-2H3,(H,23,28)(H,24,25,27)
InChIKeyKRNJNERWHBVSBR-UHFFFAOYSA-N
XLogP4.60
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770452
2-[1-adamantylcarbamoyl(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3371998
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
4-butyl-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770379
2-[cyclohexylmethyl-(2-methoxyacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770388
N-(cyclohexylmethyl)-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770363
ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 42770380
4-chloro-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770365
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 814627
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814628

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 5122047) is 2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1cccc(NC(=O)N(CC(=O)Nc2cc(C)on2)CC2CCCCC2)c1.
What is the InChIKey of 2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KRNJNERWHBVSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-17-10-7-11-19(13-17)23-22(28)26(14-18-8-5-4-6-9-18)15-21(27)24-20-12-16(2)29-25-20/h7,10-13,18H,3-6,8-9,14-15H2,1-2H3,(H,23,28)(H,24,25,27).
What are the key properties of 2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 5122047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).