7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride

C17H29ClN2O2 — CID 119788188

IUPAC7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
SMILESCOc1cc(CCNC(=O)CCCCCCN)ccc1C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-14-8-9-15(13-16(14)21-2)10-12-19-17(20)7-5-3-4-6-11-18;/h8-9,13H,3-7,10-12,18H2,1-2H3,(H,19,20);1H
InChIKeyMOBDRUCWQXOJKC-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.99
Rot. Bonds10

About 7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride

7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride (PubChem CID 119788188) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
PubChem CID119788188
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
SMILESCOc1cc(CCNC(=O)CCCCCCN)ccc1C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-14-8-9-15(13-16(14)21-2)10-12-19-17(20)7-5-3-4-6-11-18;/h8-9,13H,3-7,10-12,18H2,1-2H3,(H,19,20);1H
InChIKeyMOBDRUCWQXOJKC-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.99
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-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
CID 119326320
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
CID 119732863
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride (CID 119788188) is 7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride is COc1cc(CCNC(=O)CCCCCCN)ccc1C.Cl.
What is the InChIKey of 7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride?
The InChIKey is MOBDRUCWQXOJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-14-8-9-15(13-16(14)21-2)10-12-19-17(20)7-5-3-4-6-11-18;/h8-9,13H,3-7,10-12,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride?
7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride is sourced from PubChem (CID 119788188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).