1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen

C14H25N3O — CID 143509551

IUPAC1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen
SMILESCCCN(CCNC)C(=O)Nc1cccc(C)c1.[H][H]
InChIInChI=1S/C14H23N3O.H2/c1-4-9-17(10-8-15-3)14(18)16-13-7-5-6-12(2)11-13;/h5-7,11,15H,4,8-10H2,1-3H3,(H,16,18);1H
InChIKeyOXZQDWYEPOWUIP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.70
Rot. Bonds6

About 1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen

1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen (PubChem CID 143509551) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen
PubChem CID143509551
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen
SMILESCCCN(CCNC)C(=O)Nc1cccc(C)c1.[H][H]
InChIInChI=1S/C14H23N3O.H2/c1-4-9-17(10-8-15-3)14(18)16-13-7-5-6-12(2)11-13;/h5-7,11,15H,4,8-10H2,1-3H3,(H,16,18);1H
InChIKeyOXZQDWYEPOWUIP-UHFFFAOYSA-N
XLogP2.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
CID 61348548
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
3-(3-bromophenyl)-1-heptyl-1-propylurea
CID 141136660
3-N-(3-methylphenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107576
3-[(3-methylphenyl)carbamoyl-propylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 42736629
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
4-(3-methylanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218313

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen?
The IUPAC name of 1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen (CID 143509551) is 1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen?
The canonical SMILES for 1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen is CCCN(CCNC)C(=O)Nc1cccc(C)c1.[H][H].
What is the InChIKey of 1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen?
The InChIKey is OXZQDWYEPOWUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.H2/c1-4-9-17(10-8-15-3)14(18)16-13-7-5-6-12(2)11-13;/h5-7,11,15H,4,8-10H2,1-3H3,(H,16,18);1H.
What are the key properties of 1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen?
1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen has a molecular weight of 251.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen is sourced from PubChem (CID 143509551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).