1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea

C21H26N4O2 — CID 51963077

IUPAC1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
SMILESC[C@H](CN1CCCC1=O)NC(=O)Nc1ccccc1N(C)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-16(15-25-14-8-13-20(25)26)22-21(27)23-18-11-6-7-12-19(18)24(2)17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H2,22,23,27)/t16-/m1/s1
InChIKeyZSXNUNMNSWCLPE-MRXNPFEDSA-N
MW366.47 g/mol
LogP3.59
Rot. Bonds6

About 1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea

1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea (PubChem CID 51963077) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
PubChem CID51963077
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
SMILESC[C@H](CN1CCCC1=O)NC(=O)Nc1ccccc1N(C)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-16(15-25-14-8-13-20(25)26)22-21(27)23-18-11-6-7-12-19(18)24(2)17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H2,22,23,27)/t16-/m1/s1
InChIKeyZSXNUNMNSWCLPE-MRXNPFEDSA-N
XLogP3.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea?
The IUPAC name of 1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea (CID 51963077) is 1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea is C[C@H](CN1CCCC1=O)NC(=O)Nc1ccccc1N(C)c1ccccc1.
What is the InChIKey of 1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea?
The InChIKey is ZSXNUNMNSWCLPE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16(15-25-14-8-13-20(25)26)22-21(27)23-18-11-6-7-12-19(18)24(2)17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H2,22,23,27)/t16-/m1/s1.
What are the key properties of 1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea?
1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea has a molecular weight of 366.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea is sourced from PubChem (CID 51963077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).