3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide

C14H20N2O — CID 62671204

IUPAC3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C14H20N2O/c1-10(9-15)14(17)16-13(12-7-8-12)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)
InChIKeyZVLZUIDONBBEQN-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.85
Rot. Bonds5

About 3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide

3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide (PubChem CID 62671204) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
PubChem CID62671204
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C14H20N2O/c1-10(9-15)14(17)16-13(12-7-8-12)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)
InChIKeyZVLZUIDONBBEQN-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetic acid
CID 103871039
methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
CID 62668946
2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 116675630
2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide
CID 54928140
3-(4-bromophenyl)sulfonyl-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 71856972
(2R)-3-(4-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 96537350
1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
2-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 61265413
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
N-[cyclopropyl(phenyl)methyl]prop-2-enamide
CID 43616558
3-amino-N-(2-ethyl-1-phenylbutyl)-2-methylpropanamide
CID 62669442

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide (CID 62671204) is 3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide is CC(CN)C(=O)NC(c1ccccc1)C1CC1.
What is the InChIKey of 3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide?
The InChIKey is ZVLZUIDONBBEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(9-15)14(17)16-13(12-7-8-12)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide?
3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 62671204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).