7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride

C17H29ClN2O2 — CID 119772791

IUPAC7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride
SMILESCOc1ccccc1C(C)(C)NC(=O)CCCCCCN.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-17(2,14-10-7-8-11-15(14)21-3)19-16(20)12-6-4-5-9-13-18;/h7-8,10-11H,4-6,9,12-13,18H2,1-3H3,(H,19,20);1H
InChIKeyRSHXBHITQBAGCW-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.38
Rot. Bonds9

About 7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride

7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride (PubChem CID 119772791) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride
PubChem CID119772791
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride
SMILESCOc1ccccc1C(C)(C)NC(=O)CCCCCCN.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-17(2,14-10-7-8-11-15(14)21-3)19-16(20)12-6-4-5-9-13-18;/h7-8,10-11H,4-6,9,12-13,18H2,1-3H3,(H,19,20);1H
InChIKeyRSHXBHITQBAGCW-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.38
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

3-(2-aminophenyl)-N-[2-(2-methoxyphenyl)propan-2-yl]propanamide;hydrochloride
CID 120610417
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
2-(4-aminophenyl)-N-[2-(2-methoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119772795
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide
CID 119802470
7-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]heptanamide
CID 119870913
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
N'-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201630
(2S,5R)-5-(aminomethyl)-N-[2-(2-methoxyphenyl)propan-2-yl]oxolane-2-carboxamide
CID 120792004
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride (CID 119772791) is 7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride is COc1ccccc1C(C)(C)NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride?
The InChIKey is RSHXBHITQBAGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-17(2,14-10-7-8-11-15(14)21-3)19-16(20)12-6-4-5-9-13-18;/h7-8,10-11H,4-6,9,12-13,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride?
7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119772791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).