N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide

C12H18N4O3 — CID 67747096

IUPACN-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide
SMILESCOc1cccc(NC(=O)NCCCNNC=O)c1
InChIInChI=1S/C12H18N4O3/c1-19-11-5-2-4-10(8-11)16-12(18)13-6-3-7-14-15-9-17/h2,4-5,8-9,14H,3,6-7H2,1H3,(H,15,17)(H2,13,16,18)
InChIKeyJJYLSYOVAPRWAH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.46
Rot. Bonds8

About N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide

N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide (PubChem CID 67747096) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide.

Molecular Properties

Compound NameN-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide
PubChem CID67747096
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide
SMILESCOc1cccc(NC(=O)NCCCNNC=O)c1
InChIInChI=1S/C12H18N4O3/c1-19-11-5-2-4-10(8-11)16-12(18)13-6-3-7-14-15-9-17/h2,4-5,8-9,14H,3,6-7H2,1H3,(H,15,17)(H2,13,16,18)
InChIKeyJJYLSYOVAPRWAH-UHFFFAOYSA-N
XLogP0.46
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide 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

N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 51290296
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
1-(3-aminopentyl)-3-(3-methoxyphenyl)urea
CID 113498087
1-ethyl-3-[3-(3-methoxyphenyl)phenyl]urea
CID 18977622
1-(3-methoxyphenyl)-3-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 95980213
1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea
CID 60733422
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
4-[(3-methylperoxyphenyl)carbamoylamino]butanoic acid
CID 88964429
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
CID 108865105

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide?
The IUPAC name of N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide (CID 67747096) is N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide.
What is the SMILES notation for N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide?
The canonical SMILES for N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide is COc1cccc(NC(=O)NCCCNNC=O)c1.
What is the InChIKey of N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide?
The InChIKey is JJYLSYOVAPRWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-11-5-2-4-10(8-11)16-12(18)13-6-3-7-14-15-9-17/h2,4-5,8-9,14H,3,6-7H2,1H3,(H,15,17)(H2,13,16,18).
What are the key properties of N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide?
N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide has a molecular weight of 266.30 g/mol, XLogP of 0.46, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide is sourced from PubChem (CID 67747096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).