1-methyl-1-(3-phenylphenyl)-3-propylurea

C17H20N2O — CID 141125806

IUPAC1-methyl-1-(3-phenylphenyl)-3-propylurea
SMILESCCCNC(=O)N(C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-3-12-18-17(20)19(2)16-11-7-10-15(13-16)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,18,20)
InChIKeyNTLVFVXBBSGEOH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.91
Rot. Bonds4

About 1-methyl-1-(3-phenylphenyl)-3-propylurea

1-methyl-1-(3-phenylphenyl)-3-propylurea (PubChem CID 141125806) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methyl-1-(3-phenylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-(3-phenylphenyl)-3-propylurea
PubChem CID141125806
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-methyl-1-(3-phenylphenyl)-3-propylurea
SMILESCCCNC(=O)N(C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-3-12-18-17(20)19(2)16-11-7-10-15(13-16)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,18,20)
InChIKeyNTLVFVXBBSGEOH-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-hydroxyphenyl)-1-methyl-3-propylurea
CID 107734166
2-ethoxy-3-[4-[3-[methyl(propylcarbamoyl)amino]phenyl]phenyl]propanoic acid
CID 67304943
2-[[4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]methylidene]pentanoic acid
CID 91185726
3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-phenoxypropanoic acid
CID 10254940
(E)-2-methoxy-3-[4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]prop-2-enoic acid
CID 68959382
(2S)-2-(ethylamino)-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid
CID 68643303
(E)-2-ethoxy-3-[4-[3-[hexylcarbamoyl(methyl)amino]phenyl]phenyl]prop-2-enoic acid
CID 68961394
methyl (2S)-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-phenylmethoxypropanoate
CID 67304752
3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-prop-2-enoxypropanoic acid
CID 67304404
[3-[heptylcarbamoyl(methyl)amino]phenyl]boronic acid
CID 11558369
methyl (2S)-2-ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoate
CID 11712174
ethyl (2E)-2-[[4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]methylidene]pentanoate
CID 68964090

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-phenylphenyl)-3-propylurea?
The IUPAC name of 1-methyl-1-(3-phenylphenyl)-3-propylurea (CID 141125806) is 1-methyl-1-(3-phenylphenyl)-3-propylurea.
What is the SMILES notation for 1-methyl-1-(3-phenylphenyl)-3-propylurea?
The canonical SMILES for 1-methyl-1-(3-phenylphenyl)-3-propylurea is CCCNC(=O)N(C)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-methyl-1-(3-phenylphenyl)-3-propylurea?
The InChIKey is NTLVFVXBBSGEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-12-18-17(20)19(2)16-11-7-10-15(13-16)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,18,20).
What are the key properties of 1-methyl-1-(3-phenylphenyl)-3-propylurea?
1-methyl-1-(3-phenylphenyl)-3-propylurea has a molecular weight of 268.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-phenylphenyl)-3-propylurea is sourced from PubChem (CID 141125806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).