3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide

C16H24N2O2 — CID 106112024

IUPAC3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide
SMILESCCc1ccc(CN(C(=O)C(CN)OC)C2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-12-4-6-13(7-5-12)11-18(14-8-9-14)16(19)15(10-17)20-2/h4-7,14-15H,3,8-11,17H2,1-2H3
InChIKeyVEXJNPYJSAHFHZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds7

About 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide

3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide (PubChem CID 106112024) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide
PubChem CID106112024
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide
SMILESCCc1ccc(CN(C(=O)C(CN)OC)C2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-12-4-6-13(7-5-12)11-18(14-8-9-14)16(19)15(10-17)20-2/h4-7,14-15H,3,8-11,17H2,1-2H3
InChIKeyVEXJNPYJSAHFHZ-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
3-amino-N-cyclopropyl-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112093
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 65230166
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 84584678
(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
CID 61163913

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide (CID 106112024) is 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide is CCc1ccc(CN(C(=O)C(CN)OC)C2CC2)cc1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide?
The InChIKey is VEXJNPYJSAHFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-12-4-6-13(7-5-12)11-18(14-8-9-14)16(19)15(10-17)20-2/h4-7,14-15H,3,8-11,17H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide?
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 106112024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).