N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride

C20H30ClN3O — CID 120885313

IUPACN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCN)CCc2ccccc2)c(C)n1C(C)C.Cl
InChIInChI=1S/C20H29N3O.ClH/c1-15(2)23-16(3)14-19(17(23)4)20(24)22(13-11-21)12-10-18-8-6-5-7-9-18;/h5-9,14-15H,10-13,21H2,1-4H3;1H
InChIKeyUZEDQOUULLHMFN-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.75
Rot. Bonds7

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

N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride (PubChem CID 120885313) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
PubChem CID120885313
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC NameN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCN)CCc2ccccc2)c(C)n1C(C)C.Cl
InChIInChI=1S/C20H29N3O.ClH/c1-15(2)23-16(3)14-19(17(23)4)20(24)22(13-11-21)12-10-18-8-6-5-7-9-18;/h5-9,14-15H,10-13,21H2,1-4H3;1H
InChIKeyUZEDQOUULLHMFN-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120649497
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884347
N-(2-aminoethyl)-2-methyl-5-methylsulfonyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884373
N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride
CID 120886647
N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120884574
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886367
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
CID 120885291

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride (CID 120885313) is N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)N(CCN)CCc2ccccc2)c(C)n1C(C)C.Cl.
What is the InChIKey of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is UZEDQOUULLHMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O.ClH/c1-15(2)23-16(3)14-19(17(23)4)20(24)22(13-11-21)12-10-18-8-6-5-7-9-18;/h5-9,14-15H,10-13,21H2,1-4H3;1H.
What are the key properties of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120885313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).