2-(heptylamino)-N-(4-methoxyphenyl)acetamide

C16H26N2O2 — CID 54814691

IUPAC2-(heptylamino)-N-(4-methoxyphenyl)acetamide
SMILESCCCCCCCNCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-12-17-13-16(19)18-14-8-10-15(20-2)11-9-14/h8-11,17H,3-7,12-13H2,1-2H3,(H,18,19)
InChIKeyPJABCZFOSHQISN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.19
Rot. Bonds10

About 2-(heptylamino)-N-(4-methoxyphenyl)acetamide

2-(heptylamino)-N-(4-methoxyphenyl)acetamide (PubChem CID 54814691) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(heptylamino)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(heptylamino)-N-(4-methoxyphenyl)acetamide
PubChem CID54814691
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(heptylamino)-N-(4-methoxyphenyl)acetamide
SMILESCCCCCCCNCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-12-17-13-16(19)18-14-8-10-15(20-2)11-9-14/h8-11,17H,3-7,12-13H2,1-2H3,(H,18,19)
InChIKeyPJABCZFOSHQISN-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.19
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

2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54808989
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide
CID 106211596
N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide
CID 115519079
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 54814460
2-(hexadecylamino)-N-naphthalen-2-ylacetamide
CID 54808912

Frequently Asked Questions

What is the IUPAC name of 2-(heptylamino)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(heptylamino)-N-(4-methoxyphenyl)acetamide (CID 54814691) is 2-(heptylamino)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(heptylamino)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(heptylamino)-N-(4-methoxyphenyl)acetamide is CCCCCCCNCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-(heptylamino)-N-(4-methoxyphenyl)acetamide?
The InChIKey is PJABCZFOSHQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-5-6-7-12-17-13-16(19)18-14-8-10-15(20-2)11-9-14/h8-11,17H,3-7,12-13H2,1-2H3,(H,18,19).
What are the key properties of 2-(heptylamino)-N-(4-methoxyphenyl)acetamide?
2-(heptylamino)-N-(4-methoxyphenyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptylamino)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 54814691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).