2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide

C17H28N2O2 — CID 54814460

IUPAC2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCCCCCCNCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H28N2O2/c1-3-4-5-6-7-12-18-14-17(20)19-13-15-8-10-16(21-2)11-9-15/h8-11,18H,3-7,12-14H2,1-2H3,(H,19,20)
InChIKeyPCQGKBDQUIKAQQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.87
Rot. Bonds11

About 2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide

2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 54814460) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID54814460
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCCCCCCNCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H28N2O2/c1-3-4-5-6-7-12-18-14-17(20)19-13-15-8-10-16(21-2)11-9-15/h8-11,18H,3-7,12-14H2,1-2H3,(H,19,20)
InChIKeyPCQGKBDQUIKAQQ-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.87
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

N-[(4-methoxyphenyl)methyl]-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]acetamide
CID 111128467
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54815317
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
CID 108998624
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182
2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111239711
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126

Frequently Asked Questions

What is the IUPAC name of 2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide (CID 54814460) is 2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide is CCCCCCCNCC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PCQGKBDQUIKAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-4-5-6-7-12-18-14-17(20)19-13-15-8-10-16(21-2)11-9-15/h8-11,18H,3-7,12-14H2,1-2H3,(H,19,20).
What are the key properties of 2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.87, 11 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)methyl]acetamide is sourced from PubChem (CID 54814460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).