4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

C16H25ClN2O2 — CID 119449852

IUPAC4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccccc1CC(C)CC(=O)NC1CCNC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(9-13-5-3-4-6-15(13)20-2)10-16(19)18-14-7-8-17-11-14;/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyDZBJNOJEUWXOOV-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.16
Rot. Bonds6

About 4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119449852) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119449852
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccccc1CC(C)CC(=O)NC1CCNC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(9-13-5-3-4-6-15(13)20-2)10-16(19)18-14-7-8-17-11-14;/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyDZBJNOJEUWXOOV-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119474759
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119474760
2-(2,6-dimethoxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119452551
2-(2-propan-2-yloxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119450481
4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445159
[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate
CID 86899049
N-cyclopropyl-2-[1-(2-methoxyphenyl)propan-2-ylamino]acetamide
CID 43777963
3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553500
N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
CID 120504695
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 119621899
(3S)-4-(2-methoxyphenyl)-3-methyl-1-[(3S)-3-(methylamino)piperidin-1-yl]butan-1-one
CID 124574688

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119449852) is 4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is COc1ccccc1CC(C)CC(=O)NC1CCNC1.Cl.
What is the InChIKey of 4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is DZBJNOJEUWXOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(9-13-5-3-4-6-15(13)20-2)10-16(19)18-14-7-8-17-11-14;/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119449852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).