1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea

C16H24N2O2 — CID 111833776

IUPAC1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
SMILESCCC1(CNC(=O)NCCC(O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-16(9-10-16)12-18-15(20)17-11-8-14(19)13-6-4-3-5-7-13/h3-7,14,19H,2,8-12H2,1H3,(H2,17,18,20)
InChIKeySMTWBNBVSUUJCM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.60
Rot. Bonds7

About 1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea

1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea (PubChem CID 111833776) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
PubChem CID111833776
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
SMILESCCC1(CNC(=O)NCCC(O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-16(9-10-16)12-18-15(20)17-11-8-14(19)13-6-4-3-5-7-13/h3-7,14,19H,2,8-12H2,1H3,(H2,17,18,20)
InChIKeySMTWBNBVSUUJCM-UHFFFAOYSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111969619
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111833784
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
CID 111470925
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
CID 167798849
1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea
CID 111481680
1-(3-hydroxy-3-phenylpropyl)-3-(3-methylsulfanylpropyl)urea
CID 111481712
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111841104
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea (CID 111833776) is 1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea is CCC1(CNC(=O)NCCC(O)c2ccccc2)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The InChIKey is SMTWBNBVSUUJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-16(9-10-16)12-18-15(20)17-11-8-14(19)13-6-4-3-5-7-13/h3-7,14,19H,2,8-12H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea?
1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 111833776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).