N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide

C16H26N2O2 — CID 119524229

IUPACN-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C16H26N2O2/c1-4-5-6-11-20-14-9-7-13(8-10-14)15(19)18-16(2,3)12-17/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19)
InChIKeyZQYHUYCWZFLKAZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.72
Rot. Bonds8

About N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide

N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide (PubChem CID 119524229) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
PubChem CID119524229
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C16H26N2O2/c1-4-5-6-11-20-14-9-7-13(8-10-14)15(19)18-16(2,3)12-17/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19)
InChIKeyZQYHUYCWZFLKAZ-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-amino-2-methylpropan-2-yl)-4-(2-methoxyethoxy)benzamide
CID 119523172
N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
CID 64550930
4-butoxy-N-tert-butylbenzamide
CID 60643031
4-pentoxybenzohydrazide
CID 2727702
methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
CID 31922159
4-heptoxy-N-methylbenzamide
CID 3291691
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
CID 114314567
1-tert-butyl-3-[(4-hexoxybenzoyl)amino]thiourea
CID 9425629
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
2,2-dimethyl-1-(4-pentadecoxyphenyl)propan-1-one
CID 59409741
N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
CID 119522848

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide (CID 119524229) is N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)NC(C)(C)CN)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide?
The InChIKey is ZQYHUYCWZFLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-6-11-20-14-9-7-13(8-10-14)15(19)18-16(2,3)12-17/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide?
N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide 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-methylpropan-2-yl)-4-pentoxybenzamide is sourced from PubChem (CID 119524229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).