N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide

C16H23NO3 — CID 22578122

IUPACN-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H23NO3/c1-12(2)19-9-5-8-17-16(18)14-10-13-6-3-4-7-15(13)20-11-14/h3-4,6-7,12,14H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyGKHWYILYLVEHQX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 22578122) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID22578122
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H23NO3/c1-12(2)19-9-5-8-17-16(18)14-10-13-6-3-4-7-15(13)20-11-14/h3-4,6-7,12,14H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyGKHWYILYLVEHQX-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.17
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

N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63589285
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
(3R)-N-(3-methylsulfonylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95644954
N-(4-cyanobutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63284588
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid
CID 43241983
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044830
N-(2-bromo-3-methoxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113274555
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 22578122) is N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)OCCCNC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is GKHWYILYLVEHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)19-9-5-8-17-16(18)14-10-13-6-3-4-7-15(13)20-11-14/h3-4,6-7,12,14H,5,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).