N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide

C14H20N2O3 — CID 142843843

IUPACN-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide
SMILESCC(CO)CC(N)CNC(=O)c1cccc(C=O)c1
InChIInChI=1S/C14H20N2O3/c1-10(8-17)5-13(15)7-16-14(19)12-4-2-3-11(6-12)9-18/h2-4,6,9-10,13,17H,5,7-8,15H2,1H3,(H,16,19)
InChIKeySIQWNWLFVWFDGN-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.57
Rot. Bonds7

About N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide

N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide (PubChem CID 142843843) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide
PubChem CID142843843
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide
SMILESCC(CO)CC(N)CNC(=O)c1cccc(C=O)c1
InChIInChI=1S/C14H20N2O3/c1-10(8-17)5-13(15)7-16-14(19)12-4-2-3-11(6-12)9-18/h2-4,6,9-10,13,17H,5,7-8,15H2,1H3,(H,16,19)
InChIKeySIQWNWLFVWFDGN-UHFFFAOYSA-N
XLogP0.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide
CID 142843740
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
(E)-3-[3-(2-methylpropylcarbamoyl)phenyl]prop-2-enoic acid
CID 94231050
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
N-(2-methoxypropyl)-3-sulfanylbenzamide
CID 107036660
N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide
CID 168911378
3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141386769
1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide
CID 177180681
N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
CID 172511882

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide?
The IUPAC name of N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide (CID 142843843) is N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide.
What is the SMILES notation for N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide?
The canonical SMILES for N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide is CC(CO)CC(N)CNC(=O)c1cccc(C=O)c1.
What is the InChIKey of N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide?
The InChIKey is SIQWNWLFVWFDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(8-17)5-13(15)7-16-14(19)12-4-2-3-11(6-12)9-18/h2-4,6,9-10,13,17H,5,7-8,15H2,1H3,(H,16,19).
What are the key properties of N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide?
N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide is sourced from PubChem (CID 142843843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).