1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea

C9H17N3O2 — CID 88981943

IUPAC1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
SMILESC=C(C)NC(=O)N(C)C(=O)NCCC
InChIInChI=1S/C9H17N3O2/c1-5-6-10-8(13)12(4)9(14)11-7(2)3/h2,5-6H2,1,3-4H3,(H,10,13)(H,11,14)
InChIKeyFCCAERKGYCSJJG-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.28
Rot. Bonds3

About 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea

1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea (PubChem CID 88981943) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
PubChem CID88981943
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
SMILESC=C(C)NC(=O)N(C)C(=O)NCCC
InChIInChI=1S/C9H17N3O2/c1-5-6-10-8(13)12(4)9(14)11-7(2)3/h2,5-6H2,1,3-4H3,(H,10,13)(H,11,14)
InChIKeyFCCAERKGYCSJJG-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648
1-methyl-3-propyl-1-sulfanylurea
CID 56993771
1-propan-2-yl-1-prop-2-enyl-3-propylurea
CID 115585837
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
1-methyl-1-methylsulfonyl-3-propylurea
CID 173463477
1-[acetyl(methyl)amino]-3-propylthiourea
CID 45119521
bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea
CID 88765209
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
1-methyl-1-piperidin-4-yl-3-propylurea
CID 20569907
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
2-oxo-N-propylpropanamide
CID 13291521

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea?
The IUPAC name of 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea (CID 88981943) is 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea.
What is the SMILES notation for 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea?
The canonical SMILES for 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea is C=C(C)NC(=O)N(C)C(=O)NCCC.
What is the InChIKey of 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea?
The InChIKey is FCCAERKGYCSJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-5-6-10-8(13)12(4)9(14)11-7(2)3/h2,5-6H2,1,3-4H3,(H,10,13)(H,11,14).
What are the key properties of 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea?
1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea has a molecular weight of 199.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea is sourced from PubChem (CID 88981943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).