N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide

C18H28N2O3 — CID 4531825

IUPACN-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
SMILESCCCCOCCCNC(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-4-5-11-23-12-7-10-19-18(22)15-8-6-9-16(13-15)20-17(21)14(2)3/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyKMWPGGQTPIRGPP-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.22
Rot. Bonds10

About N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide

N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide (PubChem CID 4531825) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
PubChem CID4531825
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
SMILESCCCCOCCCNC(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-4-5-11-23-12-7-10-19-18(22)15-8-6-9-16(13-15)20-17(21)14(2)3/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyKMWPGGQTPIRGPP-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.22
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

3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide
CID 55924139
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 17196958
N-butyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54833570
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide
CID 166187815
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
CID 78785705
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide (CID 4531825) is N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide is CCCCOCCCNC(=O)c1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide?
The InChIKey is KMWPGGQTPIRGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-5-11-23-12-7-10-19-18(22)15-8-6-9-16(13-15)20-17(21)14(2)3/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide?
N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide has a molecular weight of 320.43 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 4531825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).