N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride

C20H27ClN2O2 — CID 120649308

IUPACN-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
SMILESCCCOc1cccc(C(=O)N(CCCN)Cc2ccccc2)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-2-14-24-19-11-6-10-18(15-19)20(23)22(13-7-12-21)16-17-8-4-3-5-9-17;/h3-6,8-11,15H,2,7,12-14,16,21H2,1H3;1H
InChIKeyQAVMNSIFMLEXDQ-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.89
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride (PubChem CID 120649308) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
PubChem CID120649308
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
SMILESCCCOc1cccc(C(=O)N(CCCN)Cc2ccccc2)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-2-14-24-19-11-6-10-18(15-19)20(23)22(13-7-12-21)16-17-8-4-3-5-9-17;/h3-6,8-11,15H,2,7,12-14,16,21H2,1H3;1H
InChIKeyQAVMNSIFMLEXDQ-UHFFFAOYSA-N
XLogP3.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide
CID 54789581
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
CID 43911736
N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493616
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride (CID 120649308) is N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride is CCCOc1cccc(C(=O)N(CCCN)Cc2ccccc2)c1.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride?
The InChIKey is QAVMNSIFMLEXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-2-14-24-19-11-6-10-18(15-19)20(23)22(13-7-12-21)16-17-8-4-3-5-9-17;/h3-6,8-11,15H,2,7,12-14,16,21H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride is sourced from PubChem (CID 120649308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).