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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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).