N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride

C20H30ClN3O — CID 120649497

IUPACN-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCCN)Cc2ccccc2)c(C)n1C(C)C.Cl
InChIInChI=1S/C20H29N3O.ClH/c1-15(2)23-16(3)13-19(17(23)4)20(24)22(12-8-11-21)14-18-9-6-5-7-10-18;/h5-7,9-10,13,15H,8,11-12,14,21H2,1-4H3;1H
InChIKeyJLYNGCGNQKJWEM-UHFFFAOYSA-N
MW363.93 g/mol
LogP4.10
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride (PubChem CID 120649497) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
PubChem CID120649497
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC NameN-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCCN)Cc2ccccc2)c(C)n1C(C)C.Cl
InChIInChI=1S/C20H29N3O.ClH/c1-15(2)23-16(3)13-19(17(23)4)20(24)22(12-8-11-21)14-18-9-6-5-7-10-18;/h5-7,9-10,13,15H,8,11-12,14,21H2,1-4H3;1H
InChIKeyJLYNGCGNQKJWEM-UHFFFAOYSA-N
XLogP4.10
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120885313
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
CID 120648399
N-(3-aminopropyl)-N-benzyl-2-methyl-4-nitrobenzamide;hydrochloride
CID 120649298
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679
N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 112789852
N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride
CID 120648211
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120648433
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
CID 120648412

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride (CID 120649497) is N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)N(CCCN)Cc2ccccc2)c(C)n1C(C)C.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is JLYNGCGNQKJWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O.ClH/c1-15(2)23-16(3)13-19(17(23)4)20(24)22(12-8-11-21)14-18-9-6-5-7-10-18;/h5-7,9-10,13,15H,8,11-12,14,21H2,1-4H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 4.10, 7 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-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120649497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).