5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide

C15H24N2O3 — CID 106113235

IUPAC5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
SMILESCCCC(CCO)CNC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-3-4-11(7-8-18)10-17-15(19)13-9-12(16)5-6-14(13)20-2/h5-6,9,11,18H,3-4,7-8,10,16H2,1-2H3,(H,17,19)
InChIKeyNRRTVSRSZCHXNT-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.81
Rot. Bonds8

About 5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide

5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide (PubChem CID 106113235) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
PubChem CID106113235
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
SMILESCCCC(CCO)CNC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-3-4-11(7-8-18)10-17-15(19)13-9-12(16)5-6-14(13)20-2/h5-6,9,11,18H,3-4,7-8,10,16H2,1-2H3,(H,17,19)
InChIKeyNRRTVSRSZCHXNT-UHFFFAOYSA-N
XLogP1.81
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.81
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

5-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722628
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722901
3-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzamide
CID 103729015
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
N-(2-aminopentyl)-2-methoxy-5-methylbenzamide
CID 115737842
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
6-amino-N-[2-(2-hydroxyethyl)pentyl]-1,3-benzodioxole-5-carboxamide
CID 106113370
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide (CID 106113235) is 5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide is CCCC(CCO)CNC(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide?
The InChIKey is NRRTVSRSZCHXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-4-11(7-8-18)10-17-15(19)13-9-12(16)5-6-14(13)20-2/h5-6,9,11,18H,3-4,7-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide?
5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide is sourced from PubChem (CID 106113235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).