N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide

C16H26N2O2 — CID 64550930

IUPACN-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NC(C)(CC)CN)cc1
InChIInChI=1S/C16H26N2O2/c1-4-6-11-20-14-9-7-13(8-10-14)15(19)18-16(3,5-2)12-17/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19)
InChIKeyOJLVUXMAKFZVTO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.72
Rot. Bonds8

About N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide

N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide (PubChem CID 64550930) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
PubChem CID64550930
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NC(C)(CC)CN)cc1
InChIInChI=1S/C16H26N2O2/c1-4-6-11-20-14-9-7-13(8-10-14)15(19)18-16(3,5-2)12-17/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19)
InChIKeyOJLVUXMAKFZVTO-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.72
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

N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
CID 114314567
N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
CID 119524229
4-butoxy-N-tert-butylbenzamide
CID 60643031
methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
CID 31922159
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethoxy)benzamide
CID 119523172
4-pentoxybenzohydrazide
CID 2727702
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
CID 103933503
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
N-tert-butyl-4-(2-fluoroethoxy)benzamide
CID 130197731
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752
4-(2-butoxyethoxy)benzohydrazide
CID 55214383

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide (CID 64550930) is N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide is CCCCOc1ccc(C(=O)NC(C)(CC)CN)cc1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide?
The InChIKey is OJLVUXMAKFZVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-11-20-14-9-7-13(8-10-14)15(19)18-16(3,5-2)12-17/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide?
N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide has a molecular weight of 278.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide is sourced from PubChem (CID 64550930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).