2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide

C11H16N2O3 — CID 107218626

IUPAC2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)CO)c(N)c1
InChIInChI=1S/C11H16N2O3/c1-7(6-14)13-11(15)9-4-3-8(16-2)5-10(9)12/h3-5,7,14H,6,12H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyGJRYQASVOSCPKR-SSDOTTSWSA-N
MW224.26 g/mol
LogP0.39
Rot. Bonds4

About 2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide

2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide (PubChem CID 107218626) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
PubChem CID107218626
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)CO)c(N)c1
InChIInChI=1S/C11H16N2O3/c1-7(6-14)13-11(15)9-4-3-8(16-2)5-10(9)12/h3-5,7,14H,6,12H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyGJRYQASVOSCPKR-SSDOTTSWSA-N
XLogP0.39
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide
CID 115412958
2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
CID 106349785
2-[(2-amino-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 80504248
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-N-(dicyclopropylmethyl)-4-methoxybenzamide
CID 115412967
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 115413632
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 115413154
2-amino-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 82721345

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide (CID 107218626) is 2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](C)CO)c(N)c1.
What is the InChIKey of 2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide?
The InChIKey is GJRYQASVOSCPKR-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(6-14)13-11(15)9-4-3-8(16-2)5-10(9)12/h3-5,7,14H,6,12H2,1-2H3,(H,13,15)/t7-/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide?
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide has a molecular weight of 224.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 107218626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).