2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide

C21H27N3O2 — CID 145294466

IUPAC2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide
SMILESNC(CCCCNC=O)C(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c22-20(13-7-8-14-23-16-25)21(26)24-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,19-20H,7-8,13-15,22H2,(H,23,25)(H,24,26)
InChIKeyDNEREXRQLFJNGR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.18
Rot. Bonds11

About 2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide

2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide (PubChem CID 145294466) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide
PubChem CID145294466
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide
SMILESNC(CCCCNC=O)C(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c22-20(13-7-8-14-23-16-25)21(26)24-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,19-20H,7-8,13-15,22H2,(H,23,25)(H,24,26)
InChIKeyDNEREXRQLFJNGR-UHFFFAOYSA-N
XLogP2.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(5S)-5-amino-6-(2,2-diphenylethylamino)-6-oxohexyl]carbamate
CID 70053554
2-amino-N-(3-formamidopropyl)-2-phenylacetamide
CID 110463054
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068
3-[[(2S)-2-aminohexanoyl]amino]-2-phenylpropanoic acid
CID 107145420
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-phenylbenzamide
CID 23400721
(2R)-2,5-diamino-N-[5-(3-methylbutylamino)-3-phenylpentyl]pentanamide
CID 57034858
benzyl N-[5-amino-6-(butylamino)-6-oxohexyl]carbamate
CID 156743341
2-amino-N-(2-phenylsulfanylethyl)hexanamide
CID 54881069
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
1-(2,2-diphenylethyl)-3-[3-[6-[3-(2,2-diphenylethylcarbamothioylamino)propylamino]hexylamino]propyl]thiourea
CID 54757511

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide?
The IUPAC name of 2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide (CID 145294466) is 2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide.
What is the SMILES notation for 2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide?
The canonical SMILES for 2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide is NC(CCCCNC=O)C(=O)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide?
The InChIKey is DNEREXRQLFJNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-20(13-7-8-14-23-16-25)21(26)24-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,19-20H,7-8,13-15,22H2,(H,23,25)(H,24,26).
What are the key properties of 2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide?
2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide has a molecular weight of 353.47 g/mol, XLogP of 2.18, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide is sourced from PubChem (CID 145294466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).