N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

C17H26N2O — CID 119495241

IUPACN-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(N)CCNC(=O)C1CC1c1ccc(C(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-11(2)13-4-6-14(7-5-13)15-10-16(15)17(20)19-9-8-12(3)18/h4-7,11-12,15-16H,8-10,18H2,1-3H3,(H,19,20)
InChIKeyDGQVSCDSKCTRSN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds6

About N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 119495241) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID119495241
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(N)CCNC(=O)C1CC1c1ccc(C(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-11(2)13-4-6-14(7-5-13)15-10-16(15)17(20)19-9-8-12(3)18/h4-7,11-12,15-16H,8-10,18H2,1-3H3,(H,19,20)
InChIKeyDGQVSCDSKCTRSN-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119496644
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
2-(4-propan-2-ylphenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119533821
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246168
N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603943
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 129377935
N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 126820381
N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474817
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119572585

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 119495241) is N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is CC(N)CCNC(=O)C1CC1c1ccc(C(C)C)cc1.
What is the InChIKey of N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is DGQVSCDSKCTRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(2)13-4-6-14(7-5-13)15-10-16(15)17(20)19-9-8-12(3)18/h4-7,11-12,15-16H,8-10,18H2,1-3H3,(H,19,20).
What are the key properties of N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119495241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).