N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane

C21H30N4O2 — CID 155707669

IUPACN-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane
SMILESCC.CNNC(CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N4O2.C2H6/c1-21-23-16(12-13-17(20)24)19(25)22-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-2/h2-11,16,18,21,23H,12-13H2,1H3,(H2,20,24)(H,22,25);1-2H3
InChIKeyFBSHRIGOYILPIW-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.28
Rot. Bonds9

About N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane

N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane (PubChem CID 155707669) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane.

Molecular Properties

Compound NameN-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane
PubChem CID155707669
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane
SMILESCC.CNNC(CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N4O2.C2H6/c1-21-23-16(12-13-17(20)24)19(25)22-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-2/h2-11,16,18,21,23H,12-13H2,1H3,(H2,20,24)(H,22,25);1-2H3
InChIKeyFBSHRIGOYILPIW-UHFFFAOYSA-N
XLogP2.28
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
(2R)-5-amino-2-[(3-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 107830298
(2S)-2-[[(3R,9aR)-2,2-dimethyl-5-oxo-3,6,7,8,9,9a-hexahydro-[1,3]thiazolo[3,2-a]azepine-3-carbonyl]amino]-N-benzhydrylpentanediamide
CID 167109365
(2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid
CID 175396342
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
(2S)-5-amino-2-anilino-5-oxopentanoic acid
CID 54197392
(3-bromo-1-phenylpropyl)urea
CID 118035528
(2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide
CID 95367608
N'-benzhydrylpentanediamide;2,2,2-trifluoroacetic acid
CID 175840511
N,2-dimethylpentanediamide;ethane
CID 145111022
(2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide
CID 141017651

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane?
The IUPAC name of N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane (CID 155707669) is N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane.
What is the SMILES notation for N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane?
The canonical SMILES for N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane is CC.CNNC(CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane?
The InChIKey is FBSHRIGOYILPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.C2H6/c1-21-23-16(12-13-17(20)24)19(25)22-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-2/h2-11,16,18,21,23H,12-13H2,1H3,(H2,20,24)(H,22,25);1-2H3.
What are the key properties of N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane?
N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane has a molecular weight of 370.50 g/mol, XLogP of 2.28, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane is sourced from PubChem (CID 155707669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).