N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride

C20H33ClN2O3 — CID 119620952

IUPACN-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCNC2CCCCCC2)ccc1OC(C)C.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-15(2)25-18-11-10-16(14-19(18)24-3)20(23)22-13-12-21-17-8-6-4-5-7-9-17;/h10-11,14-15,17,21H,4-9,12-13H2,1-3H3,(H,22,23);1H
InChIKeyNDOGBHOJOYVSCX-UHFFFAOYSA-N
MW384.95 g/mol
LogP3.95
Rot. Bonds8

About N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride (PubChem CID 119620952) has the molecular formula C20H33ClN2O3 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
PubChem CID119620952
Molecular FormulaC20H33ClN2O3
Molecular Weight384.95 g/mol
Exact Mass384.22
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCNC2CCCCCC2)ccc1OC(C)C.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-15(2)25-18-11-10-16(14-19(18)24-3)20(23)22-13-12-21-17-8-6-4-5-7-9-17;/h10-11,14-15,17,21H,4-9,12-13H2,1-3H3,(H,22,23);1H
InChIKeyNDOGBHOJOYVSCX-UHFFFAOYSA-N
XLogP3.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46613191
4-(2-amino-2-oxoethoxy)-N-[2-(cycloheptylamino)ethyl]-3-methoxybenzamide
CID 119619542
N-[2-(cycloheptylamino)ethyl]-4-methoxy-3-nitrobenzamide
CID 119620943
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide;hydrochloride
CID 119620212
3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide
CID 51181691
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide
CID 119620213
3-bromo-N-[2-(cyclopropylamino)ethyl]-4-methoxybenzamide
CID 62662939
3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide
CID 5214532
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
CID 55992962
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride (CID 119620952) is N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride is COc1cc(C(=O)NCCNC2CCCCCC2)ccc1OC(C)C.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride?
The InChIKey is NDOGBHOJOYVSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3.ClH/c1-15(2)25-18-11-10-16(14-19(18)24-3)20(23)22-13-12-21-17-8-6-4-5-7-9-17;/h10-11,14-15,17,21H,4-9,12-13H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride is sourced from PubChem (CID 119620952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).