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

C16H21NO3 — CID 43392973

IUPACN-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1COc2ccccc2C1
InChIInChI=1S/C16H21NO3/c18-14-7-5-13(6-8-14)17-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-4,12-14,18H,5-10H2,(H,17,19)
InChIKeyDDOGDFGGLRKEKG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.66
Rot. Bonds2

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

N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 43392973) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID43392973
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1COc2ccccc2C1
InChIInChI=1S/C16H21NO3/c18-14-7-5-13(6-8-14)17-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-4,12-14,18H,5-10H2,(H,17,19)
InChIKeyDDOGDFGGLRKEKG-UHFFFAOYSA-N
XLogP1.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 104927114
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134047840
2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814303
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 40880949
N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide
CID 25461334
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72879272
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 43392973) is N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC1CCC(O)CC1)C1COc2ccccc2C1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DDOGDFGGLRKEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14-7-5-13(6-8-14)17-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-4,12-14,18H,5-10H2,(H,17,19).
What are the key properties of N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 43392973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).