4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide

C23H28N4O4 — CID 121063317

IUPAC4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
SMILESCOc1ccccc1NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C23H28N4O4/c1-31-20-9-5-4-8-19(20)27-23(30)25-15-14-24-21(28)17-10-12-18(13-11-17)26-22(29)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30)
InChIKeyUHZHTGXKXHOHBS-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.38
Rot. Bonds8

About 4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide

4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide (PubChem CID 121063317) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
PubChem CID121063317
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
SMILESCOc1ccccc1NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C23H28N4O4/c1-31-20-9-5-4-8-19(20)27-23(30)25-15-14-24-21(28)17-10-12-18(13-11-17)26-22(29)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30)
InChIKeyUHZHTGXKXHOHBS-UHFFFAOYSA-N
XLogP3.38
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
CID 121063331
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063342
N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063312
(3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 9083679
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide
CID 2344102
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
N-[4-[[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 42426783

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide?
The IUPAC name of 4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide (CID 121063317) is 4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide.
What is the SMILES notation for 4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide?
The canonical SMILES for 4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide is COc1ccccc1NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1.
What is the InChIKey of 4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide?
The InChIKey is UHZHTGXKXHOHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-31-20-9-5-4-8-19(20)27-23(30)25-15-14-24-21(28)17-10-12-18(13-11-17)26-22(29)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30).
What are the key properties of 4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide?
4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 121063317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).