1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea

C20H29N3O2 — CID 87005903

IUPAC1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea
SMILESCCCN(CC1CC1)C(=O)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C20H29N3O2/c1-2-12-23(14-16-10-11-16)20(25)21-18(17-7-4-3-5-8-17)15-22-13-6-9-19(22)24/h3-5,7-8,16,18H,2,6,9-15H2,1H3,(H,21,25)
InChIKeyYHUZGRKHAVVHCP-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.18
Rot. Bonds8

About 1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea

1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea (PubChem CID 87005903) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea
PubChem CID87005903
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea
SMILESCCCN(CC1CC1)C(=O)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C20H29N3O2/c1-2-12-23(14-16-10-11-16)20(25)21-18(17-7-4-3-5-8-17)15-22-13-6-9-19(22)24/h3-5,7-8,16,18H,2,6,9-15H2,1H3,(H,21,25)
InChIKeyYHUZGRKHAVVHCP-UHFFFAOYSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea (CID 87005903) is 1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea is CCCN(CC1CC1)C(=O)NC(CN1CCCC1=O)c1ccccc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea?
The InChIKey is YHUZGRKHAVVHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-12-23(14-16-10-11-16)20(25)21-18(17-7-4-3-5-8-17)15-22-13-6-9-19(22)24/h3-5,7-8,16,18H,2,6,9-15H2,1H3,(H,21,25).
What are the key properties of 1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea?
1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea has a molecular weight of 343.47 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea is sourced from PubChem (CID 87005903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).