2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid

C17H23NO4 — CID 21259489

IUPAC2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid
SMILESCCCCCCN(C(=O)O)C(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C17H23NO4/c1-2-3-4-7-10-18(16(19)20)17(21)22-15-11-13-8-5-6-9-14(13)12-15/h5-6,8-9,15H,2-4,7,10-12H2,1H3,(H,19,20)
InChIKeyKSRZRKDVDNDLTC-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.85
Rot. Bonds6

About 2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid

2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid (PubChem CID 21259489) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid
PubChem CID21259489
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid
SMILESCCCCCCN(C(=O)O)C(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C17H23NO4/c1-2-3-4-7-10-18(16(19)20)17(21)22-15-11-13-8-5-6-9-14(13)12-15/h5-6,8-9,15H,2-4,7,10-12H2,1H3,(H,19,20)
InChIKeyKSRZRKDVDNDLTC-UHFFFAOYSA-N
XLogP3.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-2-yl N-hexylcarbamate;2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid
CID 173281219
nonoxycarbonyl(pentyl)carbamic acid
CID 54125876
2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate
CID 174350360
decyl 2,3-dihydro-1H-indene-2-carboxylate
CID 122577594
octyl(phenyl)carbamic acid
CID 54301990
butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane
CID 145477988
[[carboxy(tetratriacontyl)amino]-diphenylmethyl]-tetratriacontylcarbamic acid
CID 87081562
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 67710063
acetyl(pentyl)carbamic acid
CID 87957714

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid?
The IUPAC name of 2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid (CID 21259489) is 2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid is CCCCCCN(C(=O)O)C(=O)OC1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid?
The InChIKey is KSRZRKDVDNDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-3-4-7-10-18(16(19)20)17(21)22-15-11-13-8-5-6-9-14(13)12-15/h5-6,8-9,15H,2-4,7,10-12H2,1H3,(H,19,20).
What are the key properties of 2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid?
2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid has a molecular weight of 305.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid is sourced from PubChem (CID 21259489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).