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

C14H22N2O3 — CID 115412958

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

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

2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide (PubChem CID 115412958) 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-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide
PubChem CID115412958
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(CO)CC(C)C)c(N)c1
InChIInChI=1S/C14H22N2O3/c1-9(2)6-10(8-17)16-14(18)12-5-4-11(19-3)7-13(12)15/h4-5,7,9-10,17H,6,8,15H2,1-3H3,(H,16,18)
InChIKeyXOTJXRLQZHHORZ-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

2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
CID 106349785
2-[(2-amino-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 80504248
N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxy-5-methylbenzamide
CID 61245771
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-N-(dicyclopropylmethyl)-4-methoxybenzamide
CID 115412967
(2S)-2-[(2-amino-5-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115412933
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 115413632
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113344752

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide (CID 115412958) is 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC(CO)CC(C)C)c(N)c1.
What is the InChIKey of 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide?
The InChIKey is XOTJXRLQZHHORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)6-10(8-17)16-14(18)12-5-4-11(19-3)7-13(12)15/h4-5,7,9-10,17H,6,8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide?
2-amino-N-(1-hydroxy-4-methylpentan-2-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-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 115412958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).