5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide

C12H16N4O4 — CID 62921862

IUPAC5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H16N4O4/c1-20-9-3-2-7(13)4-8(9)12(19)16(5-10(14)17)6-11(15)18/h2-4H,5-6,13H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyOVBWUHLXKCWTDA-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.31
Rot. Bonds6

About 5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide

5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide (PubChem CID 62921862) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide
PubChem CID62921862
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H16N4O4/c1-20-9-3-2-7(13)4-8(9)12(19)16(5-10(14)17)6-11(15)18/h2-4H,5-6,13H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyOVBWUHLXKCWTDA-UHFFFAOYSA-N
XLogP-1.31
TPSA141.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-2-methoxy-N-methylbenzamide
CID 61094369
4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 62921855
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
5-amino-2-methoxy-N-methyl-N-pentylbenzamide
CID 61093600
ethyl 5-amino-2-methoxybenzoate
CID 22180184
5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826
5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 55001132
5-amino-2-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79475810
methyl 2-[(5-amino-2-bromobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956423
2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 107433916
5-amino-2-methoxy-N-methyl-N-(2-methylphenyl)benzamide
CID 62002550
5-amino-N-ethyl-2-methoxy-N-(3-methylphenyl)benzamide
CID 61104661

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide?
The IUPAC name of 5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide (CID 62921862) is 5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide?
The canonical SMILES for 5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide is COc1ccc(N)cc1C(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide?
The InChIKey is OVBWUHLXKCWTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-20-9-3-2-7(13)4-8(9)12(19)16(5-10(14)17)6-11(15)18/h2-4H,5-6,13H2,1H3,(H2,14,17)(H2,15,18).
What are the key properties of 5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide?
5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide has a molecular weight of 280.28 g/mol, XLogP of -1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide is sourced from PubChem (CID 62921862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).