N-pentyl-2-(2-propan-2-ylanilino)acetamide

C16H26N2O — CID 109006037

IUPACN-pentyl-2-(2-propan-2-ylanilino)acetamide
SMILESCCCCCNC(=O)CNc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-4-5-8-11-17-16(19)12-18-15-10-7-6-9-14(15)13(2)3/h6-7,9-10,13,18H,4-5,8,11-12H2,1-3H3,(H,17,19)
InChIKeyWNCQQMXHIBMYFM-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.53
Rot. Bonds8

About N-pentyl-2-(2-propan-2-ylanilino)acetamide

N-pentyl-2-(2-propan-2-ylanilino)acetamide (PubChem CID 109006037) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-pentyl-2-(2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-pentyl-2-(2-propan-2-ylanilino)acetamide
PubChem CID109006037
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-pentyl-2-(2-propan-2-ylanilino)acetamide
SMILESCCCCCNC(=O)CNc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-4-5-8-11-17-16(19)12-18-15-10-7-6-9-14(15)13(2)3/h6-7,9-10,13,18H,4-5,8,11-12H2,1-3H3,(H,17,19)
InChIKeyWNCQQMXHIBMYFM-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide
CID 60685501
N-pentyl-2-propan-2-ylaniline
CID 29268175
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823404
2-(3-chloro-2-methylanilino)-N-pentylacetamide
CID 109006043
2-(2,3-dichloroanilino)-N-heptylacetamide
CID 54816059
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide
CID 33161990
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043746
2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide
CID 113156608

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(2-propan-2-ylanilino)acetamide?
The IUPAC name of N-pentyl-2-(2-propan-2-ylanilino)acetamide (CID 109006037) is N-pentyl-2-(2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-pentyl-2-(2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-pentyl-2-(2-propan-2-ylanilino)acetamide is CCCCCNC(=O)CNc1ccccc1C(C)C.
What is the InChIKey of N-pentyl-2-(2-propan-2-ylanilino)acetamide?
The InChIKey is WNCQQMXHIBMYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-8-11-17-16(19)12-18-15-10-7-6-9-14(15)13(2)3/h6-7,9-10,13,18H,4-5,8,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-pentyl-2-(2-propan-2-ylanilino)acetamide?
N-pentyl-2-(2-propan-2-ylanilino)acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 109006037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).