N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride

C17H29ClN2O2 — CID 119640769

IUPACN-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
SMILESCCCCOc1ccc(C(=O)NCC(N)(CC)CC)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-4-7-12-21-15-10-8-14(9-11-15)16(20)19-13-17(18,5-2)6-3;/h8-11H,4-7,12-13,18H2,1-3H3,(H,19,20);1H
InChIKeyUFSAGQQESRHQIL-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.53
Rot. Bonds9

About N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride

N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride (PubChem CID 119640769) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
PubChem CID119640769
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
SMILESCCCCOc1ccc(C(=O)NCC(N)(CC)CC)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-4-7-12-21-15-10-8-14(9-11-15)16(20)19-13-17(18,5-2)6-3;/h8-11H,4-7,12-13,18H2,1-3H3,(H,19,20);1H
InChIKeyUFSAGQQESRHQIL-UHFFFAOYSA-N
XLogP3.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119629951
N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 119641383
4-pentoxybenzohydrazide
CID 2727702
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
4-butoxy-N-tert-butylbenzamide
CID 60643031
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride (CID 119640769) is N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride is CCCCOc1ccc(C(=O)NCC(N)(CC)CC)cc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride?
The InChIKey is UFSAGQQESRHQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-4-7-12-21-15-10-8-14(9-11-15)16(20)19-13-17(18,5-2)6-3;/h8-11H,4-7,12-13,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride is sourced from PubChem (CID 119640769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).