1-methyl-3-(3-phenylmethoxypropyl)urea

C12H18N2O2 — CID 47127496

IUPAC1-methyl-3-(3-phenylmethoxypropyl)urea
SMILESCNC(=O)NCCCOCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-13-12(15)14-8-5-9-16-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,13,14,15)
InChIKeyKTNXEDFXMKXTBO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.52
Rot. Bonds6

About 1-methyl-3-(3-phenylmethoxypropyl)urea

1-methyl-3-(3-phenylmethoxypropyl)urea (PubChem CID 47127496) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-3-(3-phenylmethoxypropyl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-phenylmethoxypropyl)urea
PubChem CID47127496
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-methyl-3-(3-phenylmethoxypropyl)urea
SMILESCNC(=O)NCCCOCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-13-12(15)14-8-5-9-16-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,13,14,15)
InChIKeyKTNXEDFXMKXTBO-UHFFFAOYSA-N
XLogP1.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylmethoxypropyl)benzamide
CID 60701514
2,3-dimethyl-4-oxo-4-(3-phenylmethoxypropylamino)butanoic acid
CID 103496536
1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea
CID 38212673
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
CID 62670890
(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
CID 103929639
3-methyl-5-oxo-5-(3-phenylmethoxypropylamino)pentanoic acid
CID 62965038
2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
CID 113425680
1-(methylamino)-6-phenylmethoxyhexan-3-one
CID 130588813
2-amino-N-(3-phenylmethoxypropyl)benzamide
CID 43579724
2-amino-2-methyl-N-(4-phenylmethoxybutyl)propanamide
CID 119311846
2-oxo-2-(3-phenylmethoxypropoxy)acetic acid
CID 90995825

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-phenylmethoxypropyl)urea?
The IUPAC name of 1-methyl-3-(3-phenylmethoxypropyl)urea (CID 47127496) is 1-methyl-3-(3-phenylmethoxypropyl)urea.
What is the SMILES notation for 1-methyl-3-(3-phenylmethoxypropyl)urea?
The canonical SMILES for 1-methyl-3-(3-phenylmethoxypropyl)urea is CNC(=O)NCCCOCc1ccccc1.
What is the InChIKey of 1-methyl-3-(3-phenylmethoxypropyl)urea?
The InChIKey is KTNXEDFXMKXTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-12(15)14-8-5-9-16-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,13,14,15).
What are the key properties of 1-methyl-3-(3-phenylmethoxypropyl)urea?
1-methyl-3-(3-phenylmethoxypropyl)urea has a molecular weight of 222.29 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-phenylmethoxypropyl)urea is sourced from PubChem (CID 47127496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).