2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide

C15H25N3O2 — CID 120994064

IUPAC2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)CN(C)Cc1ccccc1
InChIInChI=1S/C15H25N3O2/c1-12(17-15(19)14(16)11-20-3)9-18(2)10-13-7-5-4-6-8-13/h4-8,12,14H,9-11,16H2,1-3H3,(H,17,19)
InChIKeyFNOOGNIUPZUKNY-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.60
Rot. Bonds8

About 2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide

2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide (PubChem CID 120994064) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide
PubChem CID120994064
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)CN(C)Cc1ccccc1
InChIInChI=1S/C15H25N3O2/c1-12(17-15(19)14(16)11-20-3)9-18(2)10-13-7-5-4-6-8-13/h4-8,12,14H,9-11,16H2,1-3H3,(H,17,19)
InChIKeyFNOOGNIUPZUKNY-UHFFFAOYSA-N
XLogP0.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-(1-methoxypropan-2-yl)propanamide
CID 81082109
2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119860539
2-amino-3-methoxy-N-(1-phenyl-2-phenylmethoxyethyl)propanamide;hydrochloride
CID 120990600
1-[(2R)-1-[benzyl(methyl)amino]propan-2-yl]-3-(2,4,5-trifluorophenyl)urea
CID 97259038
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
CID 120984398
2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155842
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657
2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
CID 81083554
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-N-(1-phenylmethoxypropan-2-yl)pentanamide;hydrochloride
CID 119335294

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide (CID 120994064) is 2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide is COCC(N)C(=O)NC(C)CN(C)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide?
The InChIKey is FNOOGNIUPZUKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(17-15(19)14(16)11-20-3)9-18(2)10-13-7-5-4-6-8-13/h4-8,12,14H,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide?
2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide has a molecular weight of 279.38 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 120994064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).