N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide

C15H23N3O2 — CID 43461046

IUPACN-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide
SMILESCCCCCC(=O)N(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-2-3-4-5-15(20)18(11-14(17)19)10-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11,16H2,1H3,(H2,17,19)
InChIKeyKFXSWDCWBOJEAC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.66
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide

N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide (PubChem CID 43461046) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide
PubChem CID43461046
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide
SMILESCCCCCC(=O)N(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-2-3-4-5-15(20)18(11-14(17)19)10-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11,16H2,1H3,(H2,17,19)
InChIKeyKFXSWDCWBOJEAC-UHFFFAOYSA-N
XLogP1.66
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
CID 43460515
ethyl 2-[benzyl(hexanoyl)amino]acetate
CID 78978694
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide
CID 103017682
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)octanamide
CID 177356910
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)propanamide
CID 62835708
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-3-ethoxypropanamide
CID 62590077
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide (CID 43461046) is N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide is CCCCCC(=O)N(CC(N)=O)Cc1ccc(N)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide?
The InChIKey is KFXSWDCWBOJEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-3-4-5-15(20)18(11-14(17)19)10-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11,16H2,1H3,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide?
N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide has a molecular weight of 277.37 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]hexanamide is sourced from PubChem (CID 43461046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).