3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide

C15H22N2O2 — CID 61252828

IUPAC3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(C(NC(=O)CC(C)N)C2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-10(16)9-14(18)17-15(11-3-4-11)12-5-7-13(19-2)8-6-12/h5-8,10-11,15H,3-4,9,16H2,1-2H3,(H,17,18)
InChIKeyQSCONSDBLJMULA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.00
Rot. Bonds6

About 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide

3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide (PubChem CID 61252828) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
PubChem CID61252828
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(C(NC(=O)CC(C)N)C2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-10(16)9-14(18)17-15(11-3-4-11)12-5-7-13(19-2)8-6-12/h5-8,10-11,15H,3-4,9,16H2,1-2H3,(H,17,18)
InChIKeyQSCONSDBLJMULA-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide
CID 119763696
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119693493
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide (CID 61252828) is 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide is COc1ccc(C(NC(=O)CC(C)N)C2CC2)cc1.
What is the InChIKey of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide?
The InChIKey is QSCONSDBLJMULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(16)9-14(18)17-15(11-3-4-11)12-5-7-13(19-2)8-6-12/h5-8,10-11,15H,3-4,9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide?
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide has a molecular weight of 262.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 61252828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).