1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea

C19H29N3O2 — CID 94784827

IUPAC1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCCCCC[C@@H](C)NC(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C19H29N3O2/c1-3-4-5-8-15(2)20-19(24)21-17-10-6-9-16(13-17)14-22-12-7-11-18(22)23/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3,(H2,20,21,24)/t15-/m1/s1
InChIKeyDLYARRZIAYXUOD-OAHLLOKOSA-N
MW331.46 g/mol
LogP3.90
Rot. Bonds8

About 1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea

1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea (PubChem CID 94784827) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
PubChem CID94784827
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCCCCC[C@@H](C)NC(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C19H29N3O2/c1-3-4-5-8-15(2)20-19(24)21-17-10-6-9-16(13-17)14-22-12-7-11-18(22)23/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3,(H2,20,21,24)/t15-/m1/s1
InChIKeyDLYARRZIAYXUOD-OAHLLOKOSA-N
XLogP3.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 94174304
1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614486
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95314566
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CID 30875155
1-[3-(aminomethyl)phenyl]-3-hexan-2-ylurea
CID 62200638
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
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CID 51119825
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
1-[3-(1-hydroxyethyl)phenyl]-3-octan-2-ylurea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea (CID 94784827) is 1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea is CCCCC[C@@H](C)NC(=O)Nc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The InChIKey is DLYARRZIAYXUOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-4-5-8-15(2)20-19(24)21-17-10-6-9-16(13-17)14-22-12-7-11-18(22)23/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3,(H2,20,21,24)/t15-/m1/s1.
What are the key properties of 1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea has a molecular weight of 331.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 94784827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).