N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide

C22H28N2O2 — CID 135105269

IUPACN-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide
SMILESCCN(CC1CCN(C)C1)C(=O)CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O2/c1-3-24(16-17-13-14-23(2)15-17)22(26)12-11-21(25)20-10-6-8-18-7-4-5-9-19(18)20/h4-10,17H,3,11-16H2,1-2H3
InChIKeyYIEKLYCYIMNEJD-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.60
Rot. Bonds7

About N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide

N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide (PubChem CID 135105269) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide
PubChem CID135105269
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide
SMILESCCN(CC1CCN(C)C1)C(=O)CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O2/c1-3-24(16-17-13-14-23(2)15-17)22(26)12-11-21(25)20-10-6-8-18-7-4-5-9-19(18)20/h4-10,17H,3,11-16H2,1-2H3
InChIKeyYIEKLYCYIMNEJD-UHFFFAOYSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(2-methylphenyl)propan-1-one
CID 63274696
2-[[ethyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 56704647
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 55170858
1-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 91837463
1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124850362
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide
CID 95208686
4-ethoxy-1-naphthalen-1-ylbutan-1-one
CID 105094445
4-amino-1-naphthalen-1-ylpentan-1-one
CID 116571827
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
(2S)-2-amino-N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 66565879

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide?
The IUPAC name of N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide (CID 135105269) is N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide.
What is the SMILES notation for N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide?
The canonical SMILES for N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide is CCN(CC1CCN(C)C1)C(=O)CCC(=O)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide?
The InChIKey is YIEKLYCYIMNEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-24(16-17-13-14-23(2)15-17)22(26)12-11-21(25)20-10-6-8-18-7-4-5-9-19(18)20/h4-10,17H,3,11-16H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide?
N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide has a molecular weight of 352.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide is sourced from PubChem (CID 135105269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).