1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea

C23H35N3O2 — CID 7513394

IUPAC1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(NC1CCCCCCCCCCC1)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H35N3O2/c27-22-17-20(18-26(22)21-15-11-8-12-16-21)25-23(28)24-19-13-9-6-4-2-1-3-5-7-10-14-19/h8,11-12,15-16,19-20H,1-7,9-10,13-14,17-18H2,(H2,24,25,28)/t20-/m0/s1
InChIKeyAFGHDPQXTHBUNK-FQEVSTJZSA-N
MW385.55 g/mol
LogP4.76
Rot. Bonds3

About 1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea

1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 7513394) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID7513394
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(NC1CCCCCCCCCCC1)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H35N3O2/c27-22-17-20(18-26(22)21-15-11-8-12-16-21)25-23(28)24-19-13-9-6-4-2-1-3-5-7-10-14-19/h8,11-12,15-16,19-20H,1-7,9-10,13-14,17-18H2,(H2,24,25,28)/t20-/m0/s1
InChIKeyAFGHDPQXTHBUNK-FQEVSTJZSA-N
XLogP4.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970310
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063
1-cyclopentyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548061
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
1-cyclopropyl-3-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]urea
CID 97199258
benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
CID 110736817
1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513340
1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 18564547
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513457
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea (CID 7513394) is 1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea is O=C(NC1CCCCCCCCCCC1)N[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is AFGHDPQXTHBUNK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H35N3O2/c27-22-17-20(18-26(22)21-15-11-8-12-16-21)25-23(28)24-19-13-9-6-4-2-1-3-5-7-10-14-19/h8,11-12,15-16,19-20H,1-7,9-10,13-14,17-18H2,(H2,24,25,28)/t20-/m0/s1.
What are the key properties of 1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 385.55 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 7513394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).