1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide

C16H23N3O2 — CID 103109008

IUPAC1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-4-19(3)14(20)11(2)18-15(21)16(9-10-16)12-5-7-13(17)8-6-12/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,21)
InChIKeyVEZDLWFDQUOGTQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.28
Rot. Bonds5

About 1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide (PubChem CID 103109008) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
PubChem CID103109008
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-4-19(3)14(20)11(2)18-15(21)16(9-10-16)12-5-7-13(17)8-6-12/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,21)
InChIKeyVEZDLWFDQUOGTQ-UHFFFAOYSA-N
XLogP1.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930596
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930585
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide
CID 103109148
1-(4-aminophenyl)-N-(1,1-dimethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 115913719
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
1-(4-aminophenyl)-N-(1-cyanobutan-2-yl)cyclopropane-1-carboxamide
CID 112558350
1-(aminomethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 103108184
1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide
CID 115913721
1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide
CID 103308179
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide (CID 103109008) is 1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide is CCN(C)C(=O)C(C)NC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is VEZDLWFDQUOGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-19(3)14(20)11(2)18-15(21)16(9-10-16)12-5-7-13(17)8-6-12/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,21).
What are the key properties of 1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 103109008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).