3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide

C14H21N3O3 — CID 103106429

IUPAC3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C14H21N3O3/c1-5-17(3)14(19)9(2)16-13(18)10-6-11(15)8-12(7-10)20-4/h6-9H,5,15H2,1-4H3,(H,16,18)
InChIKeyXOFILSHVRGOCPW-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.87
Rot. Bonds5

About 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide

3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide (PubChem CID 103106429) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide
PubChem CID103106429
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C14H21N3O3/c1-5-17(3)14(19)9(2)16-13(18)10-6-11(15)8-12(7-10)20-4/h6-9H,5,15H2,1-4H3,(H,16,18)
InChIKeyXOFILSHVRGOCPW-UHFFFAOYSA-N
XLogP0.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.87
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

3-amino-N-hexan-2-yl-5-methoxybenzamide
CID 81090278
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097
3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091859
3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
CID 103106395
5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 107186105
3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
CID 81092041
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 125144559
2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 103108307
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide
CID 106152027
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 107868799

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide?
The IUPAC name of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide (CID 103106429) is 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide is CCN(C)C(=O)C(C)NC(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide?
The InChIKey is XOFILSHVRGOCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-17(3)14(19)9(2)16-13(18)10-6-11(15)8-12(7-10)20-4/h6-9H,5,15H2,1-4H3,(H,16,18).
What are the key properties of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide?
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide is sourced from PubChem (CID 103106429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).