N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide

C17H22N2O2 — CID 25276011

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CCCCC1
InChIInChI=1S/C17H22N2O2/c20-16(12-4-2-1-3-5-12)18-14-8-10-15(11-9-14)19-17(21)13-6-7-13/h8-13H,1-7H2,(H,18,20)(H,19,21)
InChIKeyBNJHECLQYFIZPO-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.55
Rot. Bonds4

About N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide

N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide (PubChem CID 25276011) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
PubChem CID25276011
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CCCCC1
InChIInChI=1S/C17H22N2O2/c20-16(12-4-2-1-3-5-12)18-14-8-10-15(11-9-14)19-17(21)13-6-7-13/h8-13H,1-7H2,(H,18,20)(H,19,21)
InChIKeyBNJHECLQYFIZPO-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
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CID 531820
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CID 29049901
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide (CID 25276011) is N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is BNJHECLQYFIZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(12-4-2-1-3-5-12)18-14-8-10-15(11-9-14)19-17(21)13-6-7-13/h8-13H,1-7H2,(H,18,20)(H,19,21).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 286.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 25276011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).