propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate

C19H24N2O3 — CID 87002837

IUPACpropan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)N(C)Cc1cccc2ccccc12
InChIInChI=1S/C19H24N2O3/c1-14(2)24-18(22)11-12-20-19(23)21(3)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,11-13H2,1-3H3,(H,20,23)
InChIKeyJGKWJFHULNUPHK-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.32
Rot. Bonds6

About propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate

propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate (PubChem CID 87002837) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate
PubChem CID87002837
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namepropan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)N(C)Cc1cccc2ccccc12
InChIInChI=1S/C19H24N2O3/c1-14(2)24-18(22)11-12-20-19(23)21(3)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,11-13H2,1-3H3,(H,20,23)
InChIKeyJGKWJFHULNUPHK-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate 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-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 119073868
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86952421
1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea
CID 86886404
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61414586
3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 71925562
N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
CID 55816812
2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 115173236
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
propan-2-yl 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]propanoate
CID 111037142

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate (CID 87002837) is propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate is CC(C)OC(=O)CCNC(=O)N(C)Cc1cccc2ccccc12.
What is the InChIKey of propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate?
The InChIKey is JGKWJFHULNUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(2)24-18(22)11-12-20-19(23)21(3)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,11-13H2,1-3H3,(H,20,23).
What are the key properties of propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate?
propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate has a molecular weight of 328.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 87002837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).