2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide

C14H22N2O3 — CID 106349785

IUPAC2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(CCO)C(C)C)c(N)c1
InChIInChI=1S/C14H22N2O3/c1-9(2)13(6-7-17)16-14(18)11-5-4-10(19-3)8-12(11)15/h4-5,8-9,13,17H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyLWUXOTXAJWJHQH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.41
Rot. Bonds6

About 2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide

2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide (PubChem CID 106349785) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
PubChem CID106349785
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(CCO)C(C)C)c(N)c1
InChIInChI=1S/C14H22N2O3/c1-9(2)13(6-7-17)16-14(18)11-5-4-10(19-3)8-12(11)15/h4-5,8-9,13,17H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyLWUXOTXAJWJHQH-UHFFFAOYSA-N
XLogP1.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.41
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

N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 103750968
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-[(2-amino-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 80504248
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide
CID 115412958
2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 115413154
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
N-(1-chloro-4-methylpentan-3-yl)-2-fluoro-4-methoxybenzamide
CID 114177723
3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol
CID 114176709

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide (CID 106349785) is 2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC(CCO)C(C)C)c(N)c1.
What is the InChIKey of 2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide?
The InChIKey is LWUXOTXAJWJHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)13(6-7-17)16-14(18)11-5-4-10(19-3)8-12(11)15/h4-5,8-9,13,17H,6-7,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide?
2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 106349785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).