N-pentyl-3-(2-propan-2-yloxyanilino)propanamide

C17H28N2O2 — CID 109032164

IUPACN-pentyl-3-(2-propan-2-yloxyanilino)propanamide
SMILESCCCCCNC(=O)CCNc1ccccc1OC(C)C
InChIInChI=1S/C17H28N2O2/c1-4-5-8-12-19-17(20)11-13-18-15-9-6-7-10-16(15)21-14(2)3/h6-7,9-10,14,18H,4-5,8,11-13H2,1-3H3,(H,19,20)
InChIKeyQLMYCLTVEXJAOB-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.58
Rot. Bonds10

About N-pentyl-3-(2-propan-2-yloxyanilino)propanamide

N-pentyl-3-(2-propan-2-yloxyanilino)propanamide (PubChem CID 109032164) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-pentyl-3-(2-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-pentyl-3-(2-propan-2-yloxyanilino)propanamide
PubChem CID109032164
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-pentyl-3-(2-propan-2-yloxyanilino)propanamide
SMILESCCCCCNC(=O)CCNc1ccccc1OC(C)C
InChIInChI=1S/C17H28N2O2/c1-4-5-8-12-19-17(20)11-13-18-15-9-6-7-10-16(15)21-14(2)3/h6-7,9-10,14,18H,4-5,8,11-13H2,1-3H3,(H,19,20)
InChIKeyQLMYCLTVEXJAOB-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.58
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-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108951934
N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
CID 109016279
N-butyl-3-(2-methoxyanilino)propanamide
CID 109012291
1-N-pentyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979800
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
CID 109027445
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
CID 17151100
3-(2-phenoxyanilino)-N-propylpropanamide
CID 109011455
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
N-decyl-2-(difluoromethoxy)aniline
CID 63489062

Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-(2-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-pentyl-3-(2-propan-2-yloxyanilino)propanamide (CID 109032164) is N-pentyl-3-(2-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-pentyl-3-(2-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-pentyl-3-(2-propan-2-yloxyanilino)propanamide is CCCCCNC(=O)CCNc1ccccc1OC(C)C.
What is the InChIKey of N-pentyl-3-(2-propan-2-yloxyanilino)propanamide?
The InChIKey is QLMYCLTVEXJAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-8-12-19-17(20)11-13-18-15-9-6-7-10-16(15)21-14(2)3/h6-7,9-10,14,18H,4-5,8,11-13H2,1-3H3,(H,19,20).
What are the key properties of N-pentyl-3-(2-propan-2-yloxyanilino)propanamide?
N-pentyl-3-(2-propan-2-yloxyanilino)propanamide has a molecular weight of 292.42 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-(2-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 109032164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).