1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide

C14H19N3O2 — CID 112558336

IUPAC1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCNC(=O)CCNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H19N3O2/c1-16-12(18)6-9-17-13(19)14(7-8-14)10-2-4-11(15)5-3-10/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyULVKSISHMFPJJX-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.55
Rot. Bonds5

About 1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 112558336) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
PubChem CID112558336
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCNC(=O)CCNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H19N3O2/c1-16-12(18)6-9-17-13(19)14(7-8-14)10-2-4-11(15)5-3-10/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyULVKSISHMFPJJX-UHFFFAOYSA-N
XLogP0.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-cyclohexylethyl)cyclopropane-1-carboxamide
CID 115913423
1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
CID 115913536
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 115913761
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106108848

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide (CID 112558336) is 1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide is CNC(=O)CCNC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is ULVKSISHMFPJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-12(18)6-9-17-13(19)14(7-8-14)10-2-4-11(15)5-3-10/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 112558336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).