2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide

C16H24N2O2 — CID 115576034

IUPAC2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-12(16(19)17-10-11-20-2)18-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,17,19)
InChIKeyKNAFLFJUHVLDFQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds8

About 2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide

2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 115576034) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID115576034
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-12(16(19)17-10-11-20-2)18-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,17,19)
InChIKeyKNAFLFJUHVLDFQ-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 60714122
(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 25431954
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
methyl 2-[[cyclopropyl(phenyl)methyl]amino]-3-methylbutanoate
CID 60722411
(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide
CID 95302028
2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502756
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
N-cyclopropyl-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 115575469
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide (CID 115576034) is 2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NC(c1ccccc1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is KNAFLFJUHVLDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(16(19)17-10-11-20-2)18-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide?
2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115576034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).