N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide

C13H20N2O3 — CID 62651239

IUPACN-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
SMILESCCC(CCN)NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C13H20N2O3/c1-3-9(6-7-14)15-13(17)11-8-10(18-2)4-5-12(11)16/h4-5,8-9,16H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyXACBUKMLDBKMRZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.26
Rot. Bonds6

About N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide

N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide (PubChem CID 62651239) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
PubChem CID62651239
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
SMILESCCC(CCN)NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C13H20N2O3/c1-3-9(6-7-14)15-13(17)11-8-10(18-2)4-5-12(11)16/h4-5,8-9,16H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyXACBUKMLDBKMRZ-UHFFFAOYSA-N
XLogP1.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 106180071
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-(1-bromopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 113496406
(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 61174665
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 114150752

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide (CID 62651239) is N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide is CCC(CCN)NC(=O)c1cc(OC)ccc1O.
What is the InChIKey of N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is XACBUKMLDBKMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-9(6-7-14)15-13(17)11-8-10(18-2)4-5-12(11)16/h4-5,8-9,16H,3,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide?
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 62651239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).