N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide

C20H32N2O3 — CID 17309234

IUPACN-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide
SMILESCCCCOCCCNC(=O)c1ccc(NC(=O)C(CC)CC)cc1
InChIInChI=1S/C20H32N2O3/c1-4-7-14-25-15-8-13-21-19(23)17-9-11-18(12-10-17)22-20(24)16(5-2)6-3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySKOHRHJHIJNEIN-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.00
Rot. Bonds12

About N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide

N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide (PubChem CID 17309234) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide
PubChem CID17309234
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide
SMILESCCCCOCCCNC(=O)c1ccc(NC(=O)C(CC)CC)cc1
InChIInChI=1S/C20H32N2O3/c1-4-7-14-25-15-8-13-21-19(23)17-9-11-18(12-10-17)22-20(24)16(5-2)6-3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySKOHRHJHIJNEIN-UHFFFAOYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.00
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-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27682888
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide
CID 121062485
N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
CID 4531825
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
N-benzyl-4-(2-ethylhexanoylamino)benzamide
CID 546715
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide?
The IUPAC name of N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide (CID 17309234) is N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide?
The canonical SMILES for N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide is CCCCOCCCNC(=O)c1ccc(NC(=O)C(CC)CC)cc1.
What is the InChIKey of N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide?
The InChIKey is SKOHRHJHIJNEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-7-14-25-15-8-13-21-19(23)17-9-11-18(12-10-17)22-20(24)16(5-2)6-3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide?
N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide has a molecular weight of 348.49 g/mol, XLogP of 4.00, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide is sourced from PubChem (CID 17309234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).