1-methyl-1-phenyl-3,3-dipropylurea

C14H22N2O — CID 20524964

IUPAC1-methyl-1-phenyl-3,3-dipropylurea
SMILESCCCN(CCC)C(=O)N(C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-11-16(12-5-2)14(17)15(3)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeyLRPCKERCLLMBQT-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.36
Rot. Bonds5

About 1-methyl-1-phenyl-3,3-dipropylurea

1-methyl-1-phenyl-3,3-dipropylurea (PubChem CID 20524964) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methyl-1-phenyl-3,3-dipropylurea.

Molecular Properties

Compound Name1-methyl-1-phenyl-3,3-dipropylurea
PubChem CID20524964
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-methyl-1-phenyl-3,3-dipropylurea
SMILESCCCN(CCC)C(=O)N(C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-11-16(12-5-2)14(17)15(3)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeyLRPCKERCLLMBQT-UHFFFAOYSA-N
XLogP3.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
CID 55133981
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
N,3-dimethyl-N-phenylpentanamide
CID 147359069
(1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine
CID 135303694
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
[hydroxy(phenyl)carbamoyl]-propylcarbamic acid
CID 87091898
formic acid;methyl(phenyl)carbamic acid
CID 161284118
1-(cyanomethyl)-1,3-dimethyl-3-phenylurea
CID 102316457
N-methyl-N-phenylnonanamide
CID 54136731
2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109264652
N,N-dimethylaniline;N,N-dipropylpropan-1-amine
CID 67813057
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61186680

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenyl-3,3-dipropylurea?
The IUPAC name of 1-methyl-1-phenyl-3,3-dipropylurea (CID 20524964) is 1-methyl-1-phenyl-3,3-dipropylurea.
What is the SMILES notation for 1-methyl-1-phenyl-3,3-dipropylurea?
The canonical SMILES for 1-methyl-1-phenyl-3,3-dipropylurea is CCCN(CCC)C(=O)N(C)c1ccccc1.
What is the InChIKey of 1-methyl-1-phenyl-3,3-dipropylurea?
The InChIKey is LRPCKERCLLMBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-11-16(12-5-2)14(17)15(3)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of 1-methyl-1-phenyl-3,3-dipropylurea?
1-methyl-1-phenyl-3,3-dipropylurea has a molecular weight of 234.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenyl-3,3-dipropylurea is sourced from PubChem (CID 20524964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).