N-(4-aminopentyl)-4-tert-butylbenzamide

C16H26N2O — CID 106122499

IUPACN-(4-aminopentyl)-4-tert-butylbenzamide
SMILESCC(N)CCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-12(17)6-5-11-18-15(19)13-7-9-14(10-8-13)16(2,3)4/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19)
InChIKeyKQTURYLNCANARY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds5

About N-(4-aminopentyl)-4-tert-butylbenzamide

N-(4-aminopentyl)-4-tert-butylbenzamide (PubChem CID 106122499) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(4-aminopentyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-4-tert-butylbenzamide
PubChem CID106122499
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(4-aminopentyl)-4-tert-butylbenzamide
SMILESCC(N)CCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-12(17)6-5-11-18-15(19)13-7-9-14(10-8-13)16(2,3)4/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19)
InChIKeyKQTURYLNCANARY-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
1-N-(3-aminobutyl)-4-N-(2,2-dimethylpropyl)benzene-1,4-dicarboxamide
CID 119498465
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-(4-aminopentyl)quinoxaline-6-carboxamide
CID 106122838
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934829

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-4-tert-butylbenzamide?
The IUPAC name of N-(4-aminopentyl)-4-tert-butylbenzamide (CID 106122499) is N-(4-aminopentyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(4-aminopentyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(4-aminopentyl)-4-tert-butylbenzamide is CC(N)CCCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-aminopentyl)-4-tert-butylbenzamide?
The InChIKey is KQTURYLNCANARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(17)6-5-11-18-15(19)13-7-9-14(10-8-13)16(2,3)4/h7-10,12H,5-6,11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(4-aminopentyl)-4-tert-butylbenzamide?
N-(4-aminopentyl)-4-tert-butylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-4-tert-butylbenzamide is sourced from PubChem (CID 106122499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).