N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide

C20H25N3O4 — CID 19644382

IUPACN-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
SMILESCOc1cc(CNc2cccc(NC(=O)C(C)C)c2)ccc1OCC(N)=O
InChIInChI=1S/C20H25N3O4/c1-13(2)20(25)23-16-6-4-5-15(10-16)22-11-14-7-8-17(18(9-14)26-3)27-12-19(21)24/h4-10,13,22H,11-12H2,1-3H3,(H2,21,24)(H,23,25)
InChIKeyKCKOMTSUDHJPRM-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.77
Rot. Bonds9

About N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide

N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide (PubChem CID 19644382) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
PubChem CID19644382
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
SMILESCOc1cc(CNc2cccc(NC(=O)C(C)C)c2)ccc1OCC(N)=O
InChIInChI=1S/C20H25N3O4/c1-13(2)20(25)23-16-6-4-5-15(10-16)22-11-14-7-8-17(18(9-14)26-3)27-12-19(21)24/h4-10,13,22H,11-12H2,1-3H3,(H2,21,24)(H,23,25)
InChIKeyKCKOMTSUDHJPRM-UHFFFAOYSA-N
XLogP2.77
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide 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-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525668
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
2-[2-methoxy-4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17207216
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide
CID 104749408
4-(2-amino-2-oxoethoxy)-N-(3-chlorophenyl)-3-methoxybenzamide
CID 9072187
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide (CID 19644382) is N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide is COc1cc(CNc2cccc(NC(=O)C(C)C)c2)ccc1OCC(N)=O.
What is the InChIKey of N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The InChIKey is KCKOMTSUDHJPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(2)20(25)23-16-6-4-5-15(10-16)22-11-14-7-8-17(18(9-14)26-3)27-12-19(21)24/h4-10,13,22H,11-12H2,1-3H3,(H2,21,24)(H,23,25).
What are the key properties of N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide has a molecular weight of 371.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 19644382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).