2-(4-acetamidoanilino)-N-heptylacetamide

C17H27N3O2 — CID 54808088

IUPAC2-(4-acetamidoanilino)-N-heptylacetamide
SMILESCCCCCCCNC(=O)CNc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H27N3O2/c1-3-4-5-6-7-12-18-17(22)13-19-15-8-10-16(11-9-15)20-14(2)21/h8-11,19H,3-7,12-13H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyPRRWYQYXGAIORT-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.14
Rot. Bonds10

About 2-(4-acetamidoanilino)-N-heptylacetamide

2-(4-acetamidoanilino)-N-heptylacetamide (PubChem CID 54808088) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-heptylacetamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-heptylacetamide
PubChem CID54808088
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(4-acetamidoanilino)-N-heptylacetamide
SMILESCCCCCCCNC(=O)CNc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H27N3O2/c1-3-4-5-6-7-12-18-17(22)13-19-15-8-10-16(11-9-15)20-14(2)21/h8-11,19H,3-7,12-13H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyPRRWYQYXGAIORT-UHFFFAOYSA-N
XLogP3.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.14
H-Bond Donors ≤ 53
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-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835584
2-[4-[acetyl(methyl)amino]anilino]-N-hexadecylacetamide
CID 54811304
N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54839527
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide
CID 54825377
N-hexadecyl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835268
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-heptylacetamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-heptylacetamide (CID 54808088) is 2-(4-acetamidoanilino)-N-heptylacetamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-heptylacetamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-heptylacetamide is CCCCCCCNC(=O)CNc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-heptylacetamide?
The InChIKey is PRRWYQYXGAIORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-4-5-6-7-12-18-17(22)13-19-15-8-10-16(11-9-15)20-14(2)21/h8-11,19H,3-7,12-13H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 2-(4-acetamidoanilino)-N-heptylacetamide?
2-(4-acetamidoanilino)-N-heptylacetamide has a molecular weight of 305.42 g/mol, XLogP of 3.14, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-heptylacetamide is sourced from PubChem (CID 54808088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).