1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea

C18H22N2O2 — CID 71787559

IUPAC1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCCC(O)C1CC1)NCc1cccc2ccccc12
InChIInChI=1S/C18H22N2O2/c21-17(14-8-9-14)10-11-19-18(22)20-12-15-6-3-5-13-4-1-2-7-16(13)15/h1-7,14,17,21H,8-12H2,(H2,19,20,22)
InChIKeyRTBQRCXEPDVPLH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.80
Rot. Bonds6

About 1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea

1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea (PubChem CID 71787559) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea
PubChem CID71787559
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCCC(O)C1CC1)NCc1cccc2ccccc12
InChIInChI=1S/C18H22N2O2/c21-17(14-8-9-14)10-11-19-18(22)20-12-15-6-3-5-13-4-1-2-7-16(13)15/h1-7,14,17,21H,8-12H2,(H2,19,20,22)
InChIKeyRTBQRCXEPDVPLH-UHFFFAOYSA-N
XLogP2.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-{[(3-hydroxypropyl)amino]carbonyl}-1-naphthalenecarbothioamide
CID 2958885
3-(hydroxymethyl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 57670216
1-(1,2-Diphenyl-ethyl)-3-(3-hydroxy-propyl)-urea
CID 10979426
1-[Cyclopropyl-(2-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 84585481
2-(hydroxymethyl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 172435114
1-Benzhydryl-3-((1-(hydroxymethyl)cyclopropyl)methyl)urea
CID 49678077
1-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-3-(naphthalen-1-ylmethyl)urea
CID 56765245
4-(methoxymethyl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 71782915
4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 71783476
N-(3-cyclopropyl-3-hydroxypropyl)-1-naphthamide
CID 71787453
(S)-3-{3-[(1-naphthyl)methyl]ureido}-1-(tetrahydro-4H-pyran-4-yl)-1-propanol
CID 99997204
1-[[1-(Hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 121516045

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea (CID 71787559) is 1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea is O=C(NCCC(O)C1CC1)NCc1cccc2ccccc12.
What is the InChIKey of 1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is RTBQRCXEPDVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17(14-8-9-14)10-11-19-18(22)20-12-15-6-3-5-13-4-1-2-7-16(13)15/h1-7,14,17,21H,8-12H2,(H2,19,20,22).
What are the key properties of 1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea?
1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 298.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 71787559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).