3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea

C20H33N3O2 — CID 97227043

IUPAC3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea
SMILESC[C@@H](C1CC1)N(C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1)C1CC1
InChIInChI=1S/C20H33N3O2/c1-14(15-7-8-15)23(18-9-10-18)20(25)21-17-11-12-22(13-17)19(24)16-5-3-2-4-6-16/h14-18H,2-13H2,1H3,(H,21,25)/t14-,17-/m0/s1
InChIKeyYAWPWTVWNMGYIP-YOEHRIQHSA-N
MW347.50 g/mol
LogP3.14
Rot. Bonds5

About 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea

3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea (PubChem CID 97227043) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea.

Molecular Properties

Compound Name3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea
PubChem CID97227043
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea
SMILESC[C@@H](C1CC1)N(C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1)C1CC1
InChIInChI=1S/C20H33N3O2/c1-14(15-7-8-15)23(18-9-10-18)20(25)21-17-11-12-22(13-17)19(24)16-5-3-2-4-6-16/h14-18H,2-13H2,1H3,(H,21,25)/t14-,17-/m0/s1
InChIKeyYAWPWTVWNMGYIP-YOEHRIQHSA-N
XLogP3.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea with MolForge

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Related Compounds

1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119808791
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-hydroxyacetamide
CID 143286863
(2S)-2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119808784
3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea
CID 108563875
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea
CID 95635914
1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 124588447
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea?
The IUPAC name of 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea (CID 97227043) is 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea.
What is the SMILES notation for 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea?
The canonical SMILES for 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea is C[C@@H](C1CC1)N(C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1)C1CC1.
What is the InChIKey of 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea?
The InChIKey is YAWPWTVWNMGYIP-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-14(15-7-8-15)23(18-9-10-18)20(25)21-17-11-12-22(13-17)19(24)16-5-3-2-4-6-16/h14-18H,2-13H2,1H3,(H,21,25)/t14-,17-/m0/s1.
What are the key properties of 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea?
3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea has a molecular weight of 347.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]urea is sourced from PubChem (CID 97227043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).