1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide

C16H24N2O2 — CID 115913536

IUPAC1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
SMILESCC(C)OCCCNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-12(2)20-11-3-10-18-15(19)16(8-9-16)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11,17H2,1-2H3,(H,18,19)
InChIKeyPYLPVZFRQUASSK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds7

About 1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide (PubChem CID 115913536) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
PubChem CID115913536
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
SMILESCC(C)OCCCNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-12(2)20-11-3-10-18-15(19)16(8-9-16)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11,17H2,1-2H3,(H,18,19)
InChIKeyPYLPVZFRQUASSK-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125
1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
CID 112558336
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106108848
1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide
CID 115913423
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide (CID 115913536) is 1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide is CC(C)OCCCNC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide?
The InChIKey is PYLPVZFRQUASSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)20-11-3-10-18-15(19)16(8-9-16)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).