2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide

C16H26N2O — CID 80556865

IUPAC2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide
SMILESCCCC(CC)NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-5-7-14(6-2)18-15(19)16(3,4)12-8-10-13(17)11-9-12/h8-11,14H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyPVVNFNRIXMTCEG-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide

2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide (PubChem CID 80556865) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide
PubChem CID80556865
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide
SMILESCCCC(CC)NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-5-7-14(6-2)18-15(19)16(3,4)12-8-10-13(17)11-9-12/h8-11,14H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyPVVNFNRIXMTCEG-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-hex-1-yn-3-yl-2-methylpropanamide
CID 106230555
2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
CID 80556063
4-amino-N-hexan-3-ylbenzamide
CID 62094734
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249
2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide
CID 80556155
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
(2R)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80751613
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3,3-dimethylbutanoic acid
CID 80555297
3-[[[2-(4-aminophenyl)-2-methylpropanoyl]amino]methyl]pentanoic acid
CID 81065786
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methylpentanoic acid
CID 80555300
2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 80555164

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide (CID 80556865) is 2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide is CCCC(CC)NC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide?
The InChIKey is PVVNFNRIXMTCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-7-14(6-2)18-15(19)16(3,4)12-8-10-13(17)11-9-12/h8-11,14H,5-7,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide?
2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide is sourced from PubChem (CID 80556865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).