1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

C23H27N3O3 — CID 75463967

IUPAC1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
SMILESO=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1ccc(OCC2CC2)cc1
InChIInChI=1S/C23H27N3O3/c27-22-2-1-13-26(22)15-18-5-3-17(4-6-18)14-24-23(28)25-20-9-11-21(12-10-20)29-16-19-7-8-19/h3-6,9-12,19H,1-2,7-8,13-16H2,(H2,24,25,28)
InChIKeyHHXVCGOVUQQFDM-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.92
Rot. Bonds8

About 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea (PubChem CID 75463967) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
PubChem CID75463967
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
SMILESO=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1ccc(OCC2CC2)cc1
InChIInChI=1S/C23H27N3O3/c27-22-2-1-13-26(22)15-18-5-3-17(4-6-18)14-24-23(28)25-20-9-11-21(12-10-20)29-16-19-7-8-19/h3-6,9-12,19H,1-2,7-8,13-16H2,(H2,24,25,28)
InChIKeyHHXVCGOVUQQFDM-UHFFFAOYSA-N
XLogP3.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[4-[[(4R)-4-methyl-2-oxopiperidin-1-yl]methyl]phenyl]urea
CID 156824565
1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
CID 118783157
1-(cyclopropylmethyl)-2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111867429
N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide
CID 112825341
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119716914
1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119285129
1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78890661
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
1-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78891165
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
CID 71992090
N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119285120

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea (CID 75463967) is 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea is O=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1ccc(OCC2CC2)cc1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The InChIKey is HHXVCGOVUQQFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22-2-1-13-26(22)15-18-5-3-17(4-6-18)14-24-23(28)25-20-9-11-21(12-10-20)29-16-19-7-8-19/h3-6,9-12,19H,1-2,7-8,13-16H2,(H2,24,25,28).
What are the key properties of 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 393.49 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 75463967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).