N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide

C13H20N4O3 — CID 43373847

IUPACN-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)N(C)CC(N)=O
InChIInChI=1S/C13H20N4O3/c1-8(17(2)7-12(15)18)13(19)16-10-5-4-9(14)6-11(10)20-3/h4-6,8H,7,14H2,1-3H3,(H2,15,18)(H,16,19)
InChIKeyALEMNUWKRLICKA-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.02
Rot. Bonds6

About N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide

N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide (PubChem CID 43373847) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
PubChem CID43373847
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)N(C)CC(N)=O
InChIInChI=1S/C13H20N4O3/c1-8(17(2)7-12(15)18)13(19)16-10-5-4-9(14)6-11(10)20-3/h4-6,8H,7,14H2,1-3H3,(H2,15,18)(H,16,19)
InChIKeyALEMNUWKRLICKA-UHFFFAOYSA-N
XLogP0.02
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
CID 43186146
N-(4-amino-2-methoxyphenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81037444
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583
N-(5-amino-2-methoxyphenyl)-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984612
N-(2-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373834
N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide
CID 82224746
N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607
N-(5-amino-2-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61449940
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523
N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66104221

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide (CID 43373847) is N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide is COc1cc(N)ccc1NC(=O)C(C)N(C)CC(N)=O.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
The InChIKey is ALEMNUWKRLICKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8(17(2)7-12(15)18)13(19)16-10-5-4-9(14)6-11(10)20-3/h4-6,8H,7,14H2,1-3H3,(H2,15,18)(H,16,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide has a molecular weight of 280.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide is sourced from PubChem (CID 43373847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).