2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide

C13H21N3O2 — CID 81088298

IUPAC2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C13H21N3O2/c1-16(2)11-6-4-10(5-7-11)8-15-13(17)12(14)9-18-3/h4-7,12H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyYDBIBCCFXAXWDO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.34
Rot. Bonds6

About 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide

2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide (PubChem CID 81088298) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
PubChem CID81088298
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C13H21N3O2/c1-16(2)11-6-4-10(5-7-11)8-15-13(17)12(14)9-18-3/h4-7,12H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyYDBIBCCFXAXWDO-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide
CID 81088409
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
4-amino-5-[[4-(dimethylamino)phenyl]methylamino]-5-oxopentanoic acid
CID 64890694
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide
CID 120983914
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
CID 94797015
N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 81071747

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide (CID 81088298) is 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide is COCC(N)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide?
The InChIKey is YDBIBCCFXAXWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(2)11-6-4-10(5-7-11)8-15-13(17)12(14)9-18-3/h4-7,12H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide?
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide has a molecular weight of 251.33 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 81088298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).