N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide

C15H20N2O — CID 82262226

IUPACN-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(CCNC2CC2)cc1)C1CC1
InChIInChI=1S/C15H20N2O/c18-15(12-3-4-12)17-14-5-1-11(2-6-14)9-10-16-13-7-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2,(H,17,18)
InChIKeyKZLGWSMHRPBOQQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.33
Rot. Bonds6

About N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 82262226) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID82262226
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(CCNC2CC2)cc1)C1CC1
InChIInChI=1S/C15H20N2O/c18-15(12-3-4-12)17-14-5-1-11(2-6-14)9-10-16-13-7-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2,(H,17,18)
InChIKeyKZLGWSMHRPBOQQ-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid
CID 166791824
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
4-[3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropyl]benzoic acid
CID 119180032
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide
CID 20630451
4-N-(4-cyanophenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149126
4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149176

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 82262226) is N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(CCNC2CC2)cc1)C1CC1.
What is the InChIKey of N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is KZLGWSMHRPBOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(12-3-4-12)17-14-5-1-11(2-6-14)9-10-16-13-7-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2,(H,17,18).
What are the key properties of N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82262226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).