1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea

C15H24N2O2 — CID 95968508

IUPAC1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea
SMILESCc1cc(C)cc(C[C@@H](C)NC(=O)NCCCO)c1
InChIInChI=1S/C15H24N2O2/c1-11-7-12(2)9-14(8-11)10-13(3)17-15(19)16-5-4-6-18/h7-9,13,18H,4-6,10H2,1-3H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyZIBXXXZYNGJBEE-CYBMUJFWSA-N
MW264.37 g/mol
LogP1.92
Rot. Bonds6

About 1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea

1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea (PubChem CID 95968508) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea
PubChem CID95968508
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea
SMILESCc1cc(C)cc(C[C@@H](C)NC(=O)NCCCO)c1
InChIInChI=1S/C15H24N2O2/c1-11-7-12(2)9-14(8-11)10-13(3)17-15(19)16-5-4-6-18/h7-9,13,18H,4-6,10H2,1-3H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyZIBXXXZYNGJBEE-CYBMUJFWSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 95930302
(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
CID 119336726
1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 110903976
1-[1-(3,5-dimethylphenyl)propan-2-yl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508471
(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide
CID 119806715
N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide
CID 71998958
4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide
CID 120563508
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea
CID 110904066
1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111453218
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111508473

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea (CID 95968508) is 1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea is Cc1cc(C)cc(C[C@@H](C)NC(=O)NCCCO)c1.
What is the InChIKey of 1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea?
The InChIKey is ZIBXXXZYNGJBEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-7-12(2)9-14(8-11)10-13(3)17-15(19)16-5-4-6-18/h7-9,13,18H,4-6,10H2,1-3H3,(H2,16,17,19)/t13-/m1/s1.
What are the key properties of 1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea?
1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea has a molecular weight of 264.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 95968508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).