N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride

C21H27ClN2O3 — CID 120648431

IUPACN-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1OC.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-3-14-26-19-11-10-18(15-20(19)25-2)21(24)23(13-7-12-22)16-17-8-5-4-6-9-17;/h3-6,8-11,15H,1,7,12-14,16,22H2,2H3;1H
InChIKeyDDQZZKBLXHTIJC-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.67
Rot. Bonds10

About N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride (PubChem CID 120648431) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
PubChem CID120648431
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1OC.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-3-14-26-19-11-10-18(15-20(19)25-2)21(24)23(13-7-12-22)16-17-8-5-4-6-9-17;/h3-6,8-11,15H,1,7,12-14,16,22H2,2H3;1H
InChIKeyDDQZZKBLXHTIJC-UHFFFAOYSA-N
XLogP3.67
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide
CID 143404891
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 120649981
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide
CID 56536758
N-(3-amino-3-oxopropyl)-N-benzyl-3-bromo-4-prop-2-enoxybenzamide
CID 28642553
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride (CID 120648431) is N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride is C=CCOc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1OC.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride?
The InChIKey is DDQZZKBLXHTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-3-14-26-19-11-10-18(15-20(19)25-2)21(24)23(13-7-12-22)16-17-8-5-4-6-9-17;/h3-6,8-11,15H,1,7,12-14,16,22H2,2H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride is sourced from PubChem (CID 120648431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).