1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea

C16H28N4O — CID 51894409

IUPAC1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea
SMILESCN(C)[C@@H](CNC(=O)NC1CCCCC1)c1cccn1C
InChIInChI=1S/C16H28N4O/c1-19(2)15(14-10-7-11-20(14)3)12-17-16(21)18-13-8-5-4-6-9-13/h7,10-11,13,15H,4-6,8-9,12H2,1-3H3,(H2,17,18,21)/t15-/m0/s1
InChIKeySZTYZJPLXYCRGT-HNNXBMFYSA-N
MW292.43 g/mol
LogP2.26
Rot. Bonds5

About 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea

1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea (PubChem CID 51894409) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea
PubChem CID51894409
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea
SMILESCN(C)[C@@H](CNC(=O)NC1CCCCC1)c1cccn1C
InChIInChI=1S/C16H28N4O/c1-19(2)15(14-10-7-11-20(14)3)12-17-16(21)18-13-8-5-4-6-9-13/h7,10-11,13,15H,4-6,8-9,12H2,1-3H3,(H2,17,18,21)/t15-/m0/s1
InChIKeySZTYZJPLXYCRGT-HNNXBMFYSA-N
XLogP2.26
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea
CID 99998094
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496370
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 51894413
N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344076
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
CID 24640003
N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide
CID 60547761
1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
CID 113245022
1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106056
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881
1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 110991267

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea (CID 51894409) is 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea is CN(C)[C@@H](CNC(=O)NC1CCCCC1)c1cccn1C.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea?
The InChIKey is SZTYZJPLXYCRGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-19(2)15(14-10-7-11-20(14)3)12-17-16(21)18-13-8-5-4-6-9-13/h7,10-11,13,15H,4-6,8-9,12H2,1-3H3,(H2,17,18,21)/t15-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea?
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea has a molecular weight of 292.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea is sourced from PubChem (CID 51894409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).