N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide

C15H21N3O2 — CID 115738013

IUPACN-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
SMILESNCC(C(=O)NCCNC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C15H21N3O2/c16-10-13(11-4-2-1-3-5-11)15(20)18-9-8-17-14(19)12-6-7-12/h1-5,12-13H,6-10,16H2,(H,17,19)(H,18,20)
InChIKeyAGXAPRBBGMDXAY-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.37
Rot. Bonds7

About N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 115738013) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID115738013
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
SMILESNCC(C(=O)NCCNC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C15H21N3O2/c16-10-13(11-4-2-1-3-5-11)15(20)18-9-8-17-14(19)12-6-7-12/h1-5,12-13H,6-10,16H2,(H,17,19)(H,18,20)
InChIKeyAGXAPRBBGMDXAY-UHFFFAOYSA-N
XLogP0.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700127
3-amino-N-(2-cyclopropylpropyl)-2-phenylpropanamide
CID 115738526
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
CID 62876968
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride
CID 119737692
N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51153212
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
3-amino-N-(2-cyclopropylpropan-2-yl)-2-phenylpropanamide
CID 114110658
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
CID 106235045

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide (CID 115738013) is N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide is NCC(C(=O)NCCNC(=O)C1CC1)c1ccccc1.
What is the InChIKey of N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is AGXAPRBBGMDXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-10-13(11-4-2-1-3-5-11)15(20)18-9-8-17-14(19)12-6-7-12/h1-5,12-13H,6-10,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115738013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).