N-(2-aminopropyl)-4-butoxybenzamide

C14H22N2O2 — CID 63732303

IUPACN-(2-aminopropyl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(C)N)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-18-13-7-5-12(6-8-13)14(17)16-10-11(2)15/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyGIAIMJZRMBLYAU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.94
Rot. Bonds7

About N-(2-aminopropyl)-4-butoxybenzamide

N-(2-aminopropyl)-4-butoxybenzamide (PubChem CID 63732303) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-butoxybenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-butoxybenzamide
PubChem CID63732303
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-aminopropyl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(C)N)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-18-13-7-5-12(6-8-13)14(17)16-10-11(2)15/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyGIAIMJZRMBLYAU-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.94
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-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-butoxybenzamide
CID 62668016
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 98156453
4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
methyl 3-[(4-butoxybenzoyl)amino]-2-chloropropanoate
CID 103492843
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
N-[(2S)-2-ethylhexyl]-4-octoxybenzamide
CID 125462791
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885655
4-pentoxybenzohydrazide
CID 2727702
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
4-amino-N-(2-aminopropyl)benzamide
CID 130891998

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-butoxybenzamide?
The IUPAC name of N-(2-aminopropyl)-4-butoxybenzamide (CID 63732303) is N-(2-aminopropyl)-4-butoxybenzamide.
What is the SMILES notation for N-(2-aminopropyl)-4-butoxybenzamide?
The canonical SMILES for N-(2-aminopropyl)-4-butoxybenzamide is CCCCOc1ccc(C(=O)NCC(C)N)cc1.
What is the InChIKey of N-(2-aminopropyl)-4-butoxybenzamide?
The InChIKey is GIAIMJZRMBLYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-9-18-13-7-5-12(6-8-13)14(17)16-10-11(2)15/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-aminopropyl)-4-butoxybenzamide?
N-(2-aminopropyl)-4-butoxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-butoxybenzamide is sourced from PubChem (CID 63732303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).