3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide

C18H23N3O3 — CID 141022551

IUPAC3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)CCN)cc1OC
InChIInChI=1S/C18H23N3O3/c1-23-16-6-4-3-5-13(16)12-20-15-8-7-14(11-17(15)24-2)21-18(22)9-10-19/h3-8,11,20H,9-10,12,19H2,1-2H3,(H,21,22)
InChIKeyNMEJYZXXFPQLDW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.60
Rot. Bonds8

About 3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide

3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide (PubChem CID 141022551) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide
PubChem CID141022551
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)CCN)cc1OC
InChIInChI=1S/C18H23N3O3/c1-23-16-6-4-3-5-13(16)12-20-15-8-7-14(11-17(15)24-2)21-18(22)9-10-19/h3-8,11,20H,9-10,12,19H2,1-2H3,(H,21,22)
InChIKeyNMEJYZXXFPQLDW-UHFFFAOYSA-N
XLogP2.60
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022256
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
CID 119713207
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]-2-methoxybenzamide
CID 39184598
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
2-(2-methoxyphenoxy)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982660
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
CID 82535518
2-(4-fluorophenyl)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982646
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336
4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide (CID 141022551) is 3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide is COc1ccccc1CNc1ccc(NC(=O)CCN)cc1OC.
What is the InChIKey of 3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide?
The InChIKey is NMEJYZXXFPQLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-16-6-4-3-5-13(16)12-20-15-8-7-14(11-17(15)24-2)21-18(22)9-10-19/h3-8,11,20H,9-10,12,19H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide?
3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 141022551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).