N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide

C21H26N2O4 — CID 1428034

IUPACN-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide
SMILESCOc1cc(NC(=O)CC(C)C)c(OC)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-14(2)10-20(24)22-16-12-19(27-4)17(13-18(16)26-3)23-21(25)11-15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyZJYFAJCIUCRRDX-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.87
Rot. Bonds8

About N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide

N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide (PubChem CID 1428034) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide
PubChem CID1428034
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide
SMILESCOc1cc(NC(=O)CC(C)C)c(OC)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-14(2)10-20(24)22-16-12-19(27-4)17(13-18(16)26-3)23-21(25)11-15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyZJYFAJCIUCRRDX-UHFFFAOYSA-N
XLogP3.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide 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

2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
CID 1428068
2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride
CID 163846426
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-(5-formyl-2-methoxyphenyl)-2-phenylacetamide
CID 82156108
(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 24582098
N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 6490974
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide (CID 1428034) is N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide is COc1cc(NC(=O)CC(C)C)c(OC)cc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide?
The InChIKey is ZJYFAJCIUCRRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)10-20(24)22-16-12-19(27-4)17(13-18(16)26-3)23-21(25)11-15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide?
N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide has a molecular weight of 370.45 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 1428034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).