2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide

C15H23N3O3 — CID 115412619

IUPAC2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C15H23N3O3/c1-5-18(6-2)15(20)10(3)17-14(19)12-9-11(21-4)7-8-13(12)16/h7-10H,5-6,16H2,1-4H3,(H,17,19)
InChIKeyBCMCFVFOSKAICP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.26
Rot. Bonds6

About 2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide

2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide (PubChem CID 115412619) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide
PubChem CID115412619
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C15H23N3O3/c1-5-18(6-2)15(20)10(3)17-14(19)12-9-11(21-4)7-8-13(12)16/h7-10H,5-6,16H2,1-4H3,(H,17,19)
InChIKeyBCMCFVFOSKAICP-UHFFFAOYSA-N
XLogP1.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
[1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate
CID 61321110
methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 60954752
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
(2S)-2-[(2-amino-5-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115412933
N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide
CID 107723639
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 115597576
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide?
The IUPAC name of 2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide (CID 115412619) is 2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide is CCN(CC)C(=O)C(C)NC(=O)c1cc(OC)ccc1N.
What is the InChIKey of 2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide?
The InChIKey is BCMCFVFOSKAICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18(6-2)15(20)10(3)17-14(19)12-9-11(21-4)7-8-13(12)16/h7-10H,5-6,16H2,1-4H3,(H,17,19).
What are the key properties of 2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide?
2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide has a molecular weight of 293.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide is sourced from PubChem (CID 115412619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).