N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide

C15H21NO2 — CID 60701189

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(C(NC(=O)C(C)C)C2CC2)cc1
InChIInChI=1S/C15H21NO2/c1-10(2)15(17)16-14(11-4-5-11)12-6-8-13(18-3)9-7-12/h6-11,14H,4-5H2,1-3H3,(H,16,17)
InChIKeyVSNYGTLJOXYXGT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.92
Rot. Bonds5

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide (PubChem CID 60701189) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
PubChem CID60701189
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(C(NC(=O)C(C)C)C2CC2)cc1
InChIInChI=1S/C15H21NO2/c1-10(2)15(17)16-14(11-4-5-11)12-6-8-13(18-3)9-7-12/h6-11,14H,4-5H2,1-3H3,(H,16,17)
InChIKeyVSNYGTLJOXYXGT-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
CID 62837500
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390
N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 46509264
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
CID 46449829
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 65229389
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide (CID 60701189) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide is COc1ccc(C(NC(=O)C(C)C)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is VSNYGTLJOXYXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)15(17)16-14(11-4-5-11)12-6-8-13(18-3)9-7-12/h6-11,14H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 60701189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).