N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide

C20H29ClN2O2 — CID 49048926

IUPACN-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCC1CC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C20H29ClN2O2/c1-14(24)22-18(15-7-9-16(21)10-8-15)12-19(25)23-11-5-6-17(23)13-20(2,3)4/h7-10,17-18H,5-6,11-13H2,1-4H3,(H,22,24)
InChIKeyFPXJFNAUXRFDOM-UHFFFAOYSA-N
MW364.92 g/mol
LogP4.33
Rot. Bonds5

About N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide

N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 49048926) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
PubChem CID49048926
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCC1CC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C20H29ClN2O2/c1-14(24)22-18(15-7-9-16(21)10-8-15)12-19(25)23-11-5-6-17(23)13-20(2,3)4/h7-10,17-18H,5-6,11-13H2,1-4H3,(H,22,24)
InChIKeyFPXJFNAUXRFDOM-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide
CID 51338064
(2S)-1-[3-acetamido-3-(4-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365109
N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride
CID 119436675
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119632606
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794
[1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea
CID 42994936
N-[3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 110887099
3-[(2R)-1-[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124682062
3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid
CID 124682286
N-[3-oxo-1-phenyl-3-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]acetamide
CID 56779155
(2R)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371259
N-[1-(4-chlorophenyl)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 55902543

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide (CID 49048926) is N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCCC1CC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is FPXJFNAUXRFDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-14(24)22-18(15-7-9-16(21)10-8-15)12-19(25)23-11-5-6-17(23)13-20(2,3)4/h7-10,17-18H,5-6,11-13H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 364.92 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 49048926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).