N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide

C14H19N3O2 — CID 107856119

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
SMILESCCC(C(=O)NC1Cc2ccccc2C1)/C(N)=N/O
InChIInChI=1S/C14H19N3O2/c1-2-12(13(15)17-19)14(18)16-11-7-9-5-3-4-6-10(9)8-11/h3-6,11-12,19H,2,7-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyCUOXXMNNDOGDKG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.04
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide

N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide (PubChem CID 107856119) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
PubChem CID107856119
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
SMILESCCC(C(=O)NC1Cc2ccccc2C1)/C(N)=N/O
InChIInChI=1S/C14H19N3O2/c1-2-12(13(15)17-19)14(18)16-11-7-9-5-3-4-6-10(9)8-11/h3-6,11-12,19H,2,7-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyCUOXXMNNDOGDKG-UHFFFAOYSA-N
XLogP1.04
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 76939422
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77037476
2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683
2-amino-N-(2,3-dihydro-1H-inden-2-yl)hexanamide
CID 107842684
3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide
CID 76943418
2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide
CID 76924883
N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77034566
2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide
CID 76923919
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414
2-(N'-hydroxycarbamimidoyl)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 76975567
N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925907

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide (CID 107856119) is N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide is CCC(C(=O)NC1Cc2ccccc2C1)/C(N)=N/O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide?
The InChIKey is CUOXXMNNDOGDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-12(13(15)17-19)14(18)16-11-7-9-5-3-4-6-10(9)8-11/h3-6,11-12,19H,2,7-8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide has a molecular weight of 261.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide is sourced from PubChem (CID 107856119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).