1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide

C20H28N4O4 — CID 167893221

IUPAC1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCCNC(=O)NC1(C(=O)NC2CCN(c3ccccc3OC)C2=O)CCCC1
InChIInChI=1S/C20H28N4O4/c1-3-21-19(27)23-20(11-6-7-12-20)18(26)22-14-10-13-24(17(14)25)15-8-4-5-9-16(15)28-2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,22,26)(H2,21,23,27)
InChIKeyZQKVCKNDCVVYOE-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.55
Rot. Bonds6

About 1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide

1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 167893221) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
PubChem CID167893221
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCCNC(=O)NC1(C(=O)NC2CCN(c3ccccc3OC)C2=O)CCCC1
InChIInChI=1S/C20H28N4O4/c1-3-21-19(27)23-20(11-6-7-12-20)18(26)22-14-10-13-24(17(14)25)15-8-4-5-9-16(15)28-2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,22,26)(H2,21,23,27)
InChIKeyZQKVCKNDCVVYOE-UHFFFAOYSA-N
XLogP1.55
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 120563800
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563799
N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
CID 97089950
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120795888
N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 136542020
4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 102559541
1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one
CID 167992076

Frequently Asked Questions

What is the IUPAC name of 1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide (CID 167893221) is 1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide is CCNC(=O)NC1(C(=O)NC2CCN(c3ccccc3OC)C2=O)CCCC1.
What is the InChIKey of 1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is ZQKVCKNDCVVYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-3-21-19(27)23-20(11-6-7-12-20)18(26)22-14-10-13-24(17(14)25)15-8-4-5-9-16(15)28-2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,22,26)(H2,21,23,27).
What are the key properties of 1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide?
1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 167893221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).