2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide

C21H33ClN4O3 — CID 55445553

IUPAC2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)CC(=O)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C21H33ClN4O3/c1-25(15-20(27)23-10-7-13-29-2)16-21(28)24-14-19(26-11-5-6-12-26)17-8-3-4-9-18(17)22/h3-4,8-9,19H,5-7,10-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyOIUGDDYTRKLXOG-UHFFFAOYSA-N
MW424.97 g/mol
LogP1.68
Rot. Bonds12

About 2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide

2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 55445553) has the molecular formula C21H33ClN4O3 and a molecular weight of 424.97 g/mol. Its IUPAC name is 2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID55445553
Molecular FormulaC21H33ClN4O3
Molecular Weight424.97 g/mol
Exact Mass424.22
IUPAC Name2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)CC(=O)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C21H33ClN4O3/c1-25(15-20(27)23-10-7-13-29-2)16-21(28)24-14-19(26-11-5-6-12-26)17-8-3-4-9-18(17)22/h3-4,8-9,19H,5-7,10-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyOIUGDDYTRKLXOG-UHFFFAOYSA-N
XLogP1.68
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.97
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120321
1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea
CID 110303042
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 112504723
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24638629
2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
CID 119849351
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 35043345
2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide
CID 43007289
1-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405818

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide (CID 55445553) is 2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)CC(=O)NCC(c1ccccc1Cl)N1CCCC1.
What is the InChIKey of 2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is OIUGDDYTRKLXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN4O3/c1-25(15-20(27)23-10-7-13-29-2)16-21(28)24-14-19(26-11-5-6-12-26)17-8-3-4-9-18(17)22/h3-4,8-9,19H,5-7,10-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 424.97 g/mol, XLogP of 1.68, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55445553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).