methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate

C23H29N3O4 — CID 71857054

IUPACmethyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate
SMILESCCC(CC)(CC(=O)OC)NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H29N3O4/c1-4-23(5-2,15-21(28)30-3)24-16-20(27)26-19-14-10-9-13-18(19)22(29)25-17-11-7-6-8-12-17/h6-14,24H,4-5,15-16H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyCCQMHBWXUAYGTR-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.59
Rot. Bonds10

About methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate

methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate (PubChem CID 71857054) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate
PubChem CID71857054
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Namemethyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate
SMILESCCC(CC)(CC(=O)OC)NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H29N3O4/c1-4-23(5-2,15-21(28)30-3)24-16-20(27)26-19-14-10-9-13-18(19)22(29)25-17-11-7-6-8-12-17/h6-14,24H,4-5,15-16H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyCCQMHBWXUAYGTR-UHFFFAOYSA-N
XLogP3.59
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate with MolForge

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Related Compounds

ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
CID 12735876
2-(butanoylamino)-N-phenylbenzamide
CID 676008
4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955
methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate
CID 28637999
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-(3-ethylpentan-3-ylamino)-N-(2-fluorophenyl)acetamide
CID 65039803
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
methyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 4942197
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-(4-methoxyphenyl)acetate
CID 8011578

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate?
The IUPAC name of methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate (CID 71857054) is methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate.
What is the SMILES notation for methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate?
The canonical SMILES for methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate is CCC(CC)(CC(=O)OC)NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate?
The InChIKey is CCQMHBWXUAYGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-23(5-2,15-21(28)30-3)24-16-20(27)26-19-14-10-9-13-18(19)22(29)25-17-11-7-6-8-12-17/h6-14,24H,4-5,15-16H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate?
methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate has a molecular weight of 411.50 g/mol, XLogP of 3.59, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-3-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]amino]pentanoate is sourced from PubChem (CID 71857054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).