2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide

C13H21N3O2 — CID 81082978

IUPAC2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C13H21N3O2/c1-16(2)8-10-6-4-5-7-12(10)15-13(17)11(14)9-18-3/h4-7,11H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyKQNRNUVKBHLHQU-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.66
Rot. Bonds6

About 2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide

2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide (PubChem CID 81082978) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
PubChem CID81082978
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C13H21N3O2/c1-16(2)8-10-6-4-5-7-12(10)15-13(17)11(14)9-18-3/h4-7,11H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyKQNRNUVKBHLHQU-UHFFFAOYSA-N
XLogP0.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 120990425
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
CID 81083212
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
N-[2-[(dimethylamino)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281335
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methoxy-N-methylpropanamide
CID 120983235

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide (CID 81082978) is 2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide is COCC(N)C(=O)Nc1ccccc1CN(C)C.
What is the InChIKey of 2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide?
The InChIKey is KQNRNUVKBHLHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(2)8-10-6-4-5-7-12(10)15-13(17)11(14)9-18-3/h4-7,11H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide?
2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide has a molecular weight of 251.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide is sourced from PubChem (CID 81082978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).