methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate

C18H29N3O4 — CID 75449805

IUPACmethyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C)c(NC(=O)N(C)CCCN(C)C)c1
InChIInChI=1S/C18H29N3O4/c1-13(2)25-16-9-8-14(17(22)24-6)12-15(16)19-18(23)21(5)11-7-10-20(3)4/h8-9,12-13H,7,10-11H2,1-6H3,(H,19,23)
InChIKeyHZOQYMOYUWCJDM-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.68
Rot. Bonds8

About methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate

methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate (PubChem CID 75449805) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate
PubChem CID75449805
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Namemethyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C)c(NC(=O)N(C)CCCN(C)C)c1
InChIInChI=1S/C18H29N3O4/c1-13(2)25-16-9-8-14(17(22)24-6)12-15(16)19-18(23)21(5)11-7-10-20(3)4/h8-9,12-13H,7,10-11H2,1-6H3,(H,19,23)
InChIKeyHZOQYMOYUWCJDM-UHFFFAOYSA-N
XLogP2.68
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate 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

methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate
CID 60602791
methyl 3-[[butyl(methyl)carbamoyl]amino]-4-chlorobenzoate
CID 108990819
1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 108990816
methyl 3-[[4-(aminomethyl)benzoyl]amino]-4-propan-2-yloxybenzoate
CID 119303142
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate
CID 72864766
methyl 3-fluorosulfonyl-4-propan-2-yloxybenzoate
CID 165461434
methyl 3-(aminomethyl)-4-propan-2-yloxybenzoate;hydrochloride
CID 170919107
methyl 4-methyl-3-propan-2-yloxybenzoate
CID 23157412
methyl 4-amino-3-[3-(dimethylamino)propylamino]benzoate
CID 82785034
N-(5-acetyl-2-propan-2-yloxyphenyl)-2-methylpropanamide
CID 82156387
methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate
CID 119748523

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate?
The IUPAC name of methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate (CID 75449805) is methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate?
The canonical SMILES for methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate is COC(=O)c1ccc(OC(C)C)c(NC(=O)N(C)CCCN(C)C)c1.
What is the InChIKey of methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate?
The InChIKey is HZOQYMOYUWCJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-13(2)25-16-9-8-14(17(22)24-6)12-15(16)19-18(23)21(5)11-7-10-20(3)4/h8-9,12-13H,7,10-11H2,1-6H3,(H,19,23).
What are the key properties of methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate?
methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate has a molecular weight of 351.45 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate is sourced from PubChem (CID 75449805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).