7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride

C16H27ClN2O4 — CID 119671440

IUPAC7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
SMILESCOc1cc(NC(=O)CCCCCCN)cc(OC)c1OC.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-20-13-10-12(11-14(21-2)16(13)22-3)18-15(19)8-6-4-5-7-9-17;/h10-11H,4-9,17H2,1-3H3,(H,18,19);1H
InChIKeyGNHQAVACZSOHSM-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.98
Rot. Bonds10

About 7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride

7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride (PubChem CID 119671440) has the molecular formula C16H27ClN2O4 and a molecular weight of 346.86 g/mol. Its IUPAC name is 7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
PubChem CID119671440
Molecular FormulaC16H27ClN2O4
Molecular Weight346.86 g/mol
Exact Mass346.17
IUPAC Name7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
SMILESCOc1cc(NC(=O)CCCCCCN)cc(OC)c1OC.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-20-13-10-12(11-14(21-2)16(13)22-3)18-15(19)8-6-4-5-7-9-17;/h10-11H,4-9,17H2,1-3H3,(H,18,19);1H
InChIKeyGNHQAVACZSOHSM-UHFFFAOYSA-N
XLogP2.98
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
CID 119713207
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375
3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109012524
7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide
CID 119812850
3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109011622
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride (CID 119671440) is 7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride is COc1cc(NC(=O)CCCCCCN)cc(OC)c1OC.Cl.
What is the InChIKey of 7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride?
The InChIKey is GNHQAVACZSOHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4.ClH/c1-20-13-10-12(11-14(21-2)16(13)22-3)18-15(19)8-6-4-5-7-9-17;/h10-11H,4-9,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride?
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride is sourced from PubChem (CID 119671440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).