N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C21H34N4O3 — CID 42920128

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCOc1ccc(C(CNC(=O)CN(C)CC(=O)NC(C)C)N2CCCC2)cc1
InChIInChI=1S/C21H34N4O3/c1-16(2)23-21(27)15-24(3)14-20(26)22-13-19(25-11-5-6-12-25)17-7-9-18(28-4)10-8-17/h7-10,16,19H,5-6,11-15H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyNZKZIDIUAHNFIN-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.40
Rot. Bonds10

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 42920128) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
PubChem CID42920128
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCOc1ccc(C(CNC(=O)CN(C)CC(=O)NC(C)C)N2CCCC2)cc1
InChIInChI=1S/C21H34N4O3/c1-16(2)23-21(27)15-24(3)14-20(26)22-13-19(25-11-5-6-12-25)17-7-9-18(28-4)10-8-17/h7-10,16,19H,5-6,11-15H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyNZKZIDIUAHNFIN-UHFFFAOYSA-N
XLogP1.40
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 55537197
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 42920128) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is COc1ccc(C(CNC(=O)CN(C)CC(=O)NC(C)C)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The InChIKey is NZKZIDIUAHNFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-16(2)23-21(27)15-24(3)14-20(26)22-13-19(25-11-5-6-12-25)17-7-9-18(28-4)10-8-17/h7-10,16,19H,5-6,11-15H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 390.53 g/mol, XLogP of 1.40, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 42920128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).