N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide

C18H28N2O2 — CID 54818376

IUPACN-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(OCCCCCCC)cc1
InChIInChI=1S/C18H28N2O2/c1-3-5-6-7-8-14-22-17-11-9-16(10-12-17)20-18(21)15-19-13-4-2/h4,9-12,19H,2-3,5-8,13-15H2,1H3,(H,20,21)
InChIKeyNAQHXSXZTSJCLM-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.75
Rot. Bonds12

About N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide

N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 54818376) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
PubChem CID54818376
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(OCCCCCCC)cc1
InChIInChI=1S/C18H28N2O2/c1-3-5-6-7-8-14-22-17-11-9-16(10-12-17)20-18(21)15-19-13-4-2/h4,9-12,19H,2-3,5-8,13-15H2,1H3,(H,20,21)
InChIKeyNAQHXSXZTSJCLM-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
N-[4-(2-methoxyethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818436
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038
2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54808989
N-[4-(6-oxohexoxy)phenyl]hexanamide
CID 54463406
N-(4-decoxyphenyl)butanamide
CID 143303175
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430

Frequently Asked Questions

What is the IUPAC name of N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide (CID 54818376) is N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(OCCCCCCC)cc1.
What is the InChIKey of N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is NAQHXSXZTSJCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-5-6-7-8-14-22-17-11-9-16(10-12-17)20-18(21)15-19-13-4-2/h4,9-12,19H,2-3,5-8,13-15H2,1H3,(H,20,21).
What are the key properties of N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide?
N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 304.43 g/mol, XLogP of 3.75, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 54818376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).