3-[[cyclopropyl(phenyl)methyl]amino]propanamide

C13H18N2O — CID 60713317

IUPAC3-[[cyclopropyl(phenyl)methyl]amino]propanamide
SMILESNC(=O)CCNC(c1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O/c14-12(16)8-9-15-13(11-6-7-11)10-4-2-1-3-5-10/h1-5,11,13,15H,6-9H2,(H2,14,16)
InChIKeyUMQYAJPRWDZQFY-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.60
Rot. Bonds6

About 3-[[cyclopropyl(phenyl)methyl]amino]propanamide

3-[[cyclopropyl(phenyl)methyl]amino]propanamide (PubChem CID 60713317) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[[cyclopropyl(phenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name3-[[cyclopropyl(phenyl)methyl]amino]propanamide
PubChem CID60713317
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[[cyclopropyl(phenyl)methyl]amino]propanamide
SMILESNC(=O)CCNC(c1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O/c14-12(16)8-9-15-13(11-6-7-11)10-4-2-1-3-5-10/h1-5,11,13,15H,6-9H2,(H2,14,16)
InChIKeyUMQYAJPRWDZQFY-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]propanamide?
The IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]propanamide (CID 60713317) is 3-[[cyclopropyl(phenyl)methyl]amino]propanamide.
What is the SMILES notation for 3-[[cyclopropyl(phenyl)methyl]amino]propanamide?
The canonical SMILES for 3-[[cyclopropyl(phenyl)methyl]amino]propanamide is NC(=O)CCNC(c1ccccc1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(phenyl)methyl]amino]propanamide?
The InChIKey is UMQYAJPRWDZQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12(16)8-9-15-13(11-6-7-11)10-4-2-1-3-5-10/h1-5,11,13,15H,6-9H2,(H2,14,16).
What are the key properties of 3-[[cyclopropyl(phenyl)methyl]amino]propanamide?
3-[[cyclopropyl(phenyl)methyl]amino]propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(phenyl)methyl]amino]propanamide is sourced from PubChem (CID 60713317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).