N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride

C16H26ClN3O2 — CID 119548257

IUPACN-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride
SMILESCC(C)NC(=O)CCCC(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-12(2)19-16(21)5-3-4-15(20)18-11-10-13-6-8-14(17)9-7-13;/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyDUWRBRSELGKOBI-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.04
Rot. Bonds8

About N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride (PubChem CID 119548257) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride
PubChem CID119548257
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC NameN-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride
SMILESCC(C)NC(=O)CCCC(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-12(2)19-16(21)5-3-4-15(20)18-11-10-13-6-8-14(17)9-7-13;/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyDUWRBRSELGKOBI-UHFFFAOYSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119549003
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
CID 119549491
4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94689915
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide
CID 119549004
N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119549554
4-(4-aminophenyl)-N-(5-oxohexyl)butanamide
CID 23579156
N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119549376
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride (CID 119548257) is N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride is CC(C)NC(=O)CCCC(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride?
The InChIKey is DUWRBRSELGKOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-12(2)19-16(21)5-3-4-15(20)18-11-10-13-6-8-14(17)9-7-13;/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride is sourced from PubChem (CID 119548257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).