N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C17H21NO3 — CID 108793143

IUPACN-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NC3CCCC3)ccc2O1
InChIInChI=1S/C17H21NO3/c1-17(2)10-14(19)13-9-11(7-8-15(13)21-17)16(20)18-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,18,20)
InChIKeyBCRUCRDVXSLKLV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.10
Rot. Bonds2

About N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108793143) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108793143
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NC3CCCC3)ccc2O1
InChIInChI=1S/C17H21NO3/c1-17(2)10-14(19)13-9-11(7-8-15(13)21-17)16(20)18-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,18,20)
InChIKeyBCRUCRDVXSLKLV-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108733844
N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805120
N-[2-(diethylamino)ethyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793220
N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793309
6-(2-hydroxyacetyl)-2,2-dimethyl-3H-chromen-4-one
CID 163042609
4-[[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]methyl]benzoic acid
CID 108793216
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 108805124
N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805240
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246
N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793188
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-sulfanylpropanoic acid
CID 108793248
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid
CID 108793168

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108793143) is N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NC3CCCC3)ccc2O1.
What is the InChIKey of N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is BCRUCRDVXSLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(2)10-14(19)13-9-11(7-8-15(13)21-17)16(20)18-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108793143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).