N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide

C23H28N2O3 — CID 24513313

IUPACN-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc(C2CCCN2C(=O)CC(NC(C)=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-6-8-18(9-7-16)21(24-17(2)26)15-23(27)25-14-4-5-22(25)19-10-12-20(28-3)13-11-19/h6-13,21-22H,4-5,14-15H2,1-3H3,(H,24,26)
InChIKeyKGJVDPVCTLRTTL-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.93
Rot. Bonds6

About N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide

N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide (PubChem CID 24513313) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
PubChem CID24513313
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc(C2CCCN2C(=O)CC(NC(C)=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-6-8-18(9-7-16)21(24-17(2)26)15-23(27)25-14-4-5-22(25)19-10-12-20(28-3)13-11-19/h6-13,21-22H,4-5,14-15H2,1-3H3,(H,24,26)
InChIKeyKGJVDPVCTLRTTL-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 78814395
N-[3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 126777176
N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide
CID 92558611
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 51254391
N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124687153
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46635876
N-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 35592625
3-[(2R)-1-[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124682062
3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119704820

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide (CID 24513313) is N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide is COc1ccc(C2CCCN2C(=O)CC(NC(C)=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The InChIKey is KGJVDPVCTLRTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-6-8-18(9-7-16)21(24-17(2)26)15-23(27)25-14-4-5-22(25)19-10-12-20(28-3)13-11-19/h6-13,21-22H,4-5,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 24513313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).