N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide

C11H14N2O4 — CID 107260916

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)C(N)=O)cc1
InChIInChI=1S/C11H14N2O4/c1-17-8-4-2-7(3-5-8)11(16)13-6-9(14)10(12)15/h2-5,9,14H,6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyROLSWWUZWQQUBA-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.73
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide (PubChem CID 107260916) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
PubChem CID107260916
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)C(N)=O)cc1
InChIInChI=1S/C11H14N2O4/c1-17-8-4-2-7(3-5-8)11(16)13-6-9(14)10(12)15/h2-5,9,14H,6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyROLSWWUZWQQUBA-UHFFFAOYSA-N
XLogP-0.73
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
CID 107261317
N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide
CID 107261003
methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate
CID 70338276
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 106170555
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
N-(2-chloro-4-methylpentyl)-4-methoxybenzamide
CID 107157339
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide (CID 107260916) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(O)C(N)=O)cc1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide?
The InChIKey is ROLSWWUZWQQUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-8-4-2-7(3-5-8)11(16)13-6-9(14)10(12)15/h2-5,9,14H,6H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide has a molecular weight of 238.24 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide is sourced from PubChem (CID 107260916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).