N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide

C17H27N3O5 — CID 55769134

IUPACN-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide
SMILESCOc1cc(CNC(=O)NCCC(=O)NC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27N3O5/c1-11(2)20-15(21)6-7-18-17(22)19-10-12-8-13(23-3)16(25-5)14(9-12)24-4/h8-9,11H,6-7,10H2,1-5H3,(H,20,21)(H2,18,19,22)
InChIKeyZDZSKROAUKHAJL-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.43
Rot. Bonds9

About N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide

N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide (PubChem CID 55769134) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide
PubChem CID55769134
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC NameN-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide
SMILESCOc1cc(CNC(=O)NCCC(=O)NC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27N3O5/c1-11(2)20-15(21)6-7-18-17(22)19-10-12-8-13(23-3)16(25-5)14(9-12)24-4/h8-9,11H,6-7,10H2,1-5H3,(H,20,21)(H2,18,19,22)
InChIKeyZDZSKROAUKHAJL-UHFFFAOYSA-N
XLogP1.43
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide 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-methyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate
CID 3741090
4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 61273980
4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55822287
1-[1-(2,5-dimethylphenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 17460810
N-[3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 9483406
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
1-(pyridin-4-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217097
1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55482057
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55483025
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
ethyl 4-oxo-4-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 8529703

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide?
The IUPAC name of N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide (CID 55769134) is N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide?
The canonical SMILES for N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide is COc1cc(CNC(=O)NCCC(=O)NC(C)C)cc(OC)c1OC.
What is the InChIKey of N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide?
The InChIKey is ZDZSKROAUKHAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-11(2)20-15(21)6-7-18-17(22)19-10-12-8-13(23-3)16(25-5)14(9-12)24-4/h8-9,11H,6-7,10H2,1-5H3,(H,20,21)(H2,18,19,22).
What are the key properties of N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide?
N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide has a molecular weight of 353.42 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide is sourced from PubChem (CID 55769134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).