1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid

C19H22N2O4 — CID 146135969

IUPAC1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CC=CC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H22N2O4/c1-12(20-17(23)19(18(24)25)10-2-3-11-19)13-6-8-15(9-7-13)21-16(22)14-4-5-14/h2-3,6-9,12,14H,4-5,10-11H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyDJSMUOHBOSNEFJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.63
Rot. Bonds6

About 1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid

1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid (PubChem CID 146135969) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid
PubChem CID146135969
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CC=CC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H22N2O4/c1-12(20-17(23)19(18(24)25)10-2-3-11-19)13-6-8-15(9-7-13)21-16(22)14-4-5-14/h2-3,6-9,12,14H,4-5,10-11H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyDJSMUOHBOSNEFJ-UHFFFAOYSA-N
XLogP2.63
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]cyclopent-3-ene-1-carboxylic acid
CID 167851704
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 46485862
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
1-[1-(4-chlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095918
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide
CID 119288580
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid (CID 146135969) is 1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid is CC(NC(=O)C1(C(=O)O)CC=CC1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid?
The InChIKey is DJSMUOHBOSNEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(20-17(23)19(18(24)25)10-2-3-11-19)13-6-8-15(9-7-13)21-16(22)14-4-5-14/h2-3,6-9,12,14H,4-5,10-11H2,1H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid?
1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]cyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 146135969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).