N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide

C21H25N3O2 — CID 120609013

IUPACN-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)CCc1ccccc1N)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-14(23-20(25)13-10-16-4-2-3-5-19(16)22)15-8-11-18(12-9-15)24-21(26)17-6-7-17/h2-5,8-9,11-12,14,17H,6-7,10,13,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyQVCSWNCXPPDFOI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.43
Rot. Bonds7

About N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 120609013) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID120609013
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)CCc1ccccc1N)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-14(23-20(25)13-10-16-4-2-3-5-19(16)22)15-8-11-18(12-9-15)24-21(26)17-6-7-17/h2-5,8-9,11-12,14,17H,6-7,10,13,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyQVCSWNCXPPDFOI-UHFFFAOYSA-N
XLogP3.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.43
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

3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021124
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
methyl 5-[[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]amino]-5-oxopentanoate
CID 97347644
N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55584532
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
3-(2-aminophenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 120608273
N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 120613024
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085650
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 120609013) is N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)CCc1ccccc1N)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is QVCSWNCXPPDFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(23-20(25)13-10-16-4-2-3-5-19(16)22)15-8-11-18(12-9-15)24-21(26)17-6-7-17/h2-5,8-9,11-12,14,17H,6-7,10,13,22H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 120609013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).