N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide

C16H21NO3 — CID 104927114

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)C1COc2ccccc2C1
InChIInChI=1S/C16H21NO3/c18-14-7-3-2-6-13(14)17-16(19)12-9-11-5-1-4-8-15(11)20-10-12/h1,4-5,8,12-14,18H,2-3,6-7,9-10H2,(H,17,19)/t12?,13-,14-/m1/s1
InChIKeyMCBSGPYISBRTHU-ILMHWDKJSA-N
MW275.35 g/mol
LogP1.66
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 104927114) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID104927114
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)C1COc2ccccc2C1
InChIInChI=1S/C16H21NO3/c18-14-7-3-2-6-13(14)17-16(19)12-9-11-5-1-4-8-15(11)20-10-12/h1,4-5,8,12-14,18H,2-3,6-7,9-10H2,(H,17,19)/t12?,13-,14-/m1/s1
InChIKeyMCBSGPYISBRTHU-ILMHWDKJSA-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-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575
2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814303
N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 79886091
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113227517
2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
CID 62697656
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 104927114) is N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)C1COc2ccccc2C1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is MCBSGPYISBRTHU-ILMHWDKJSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14-7-3-2-6-13(14)17-16(19)12-9-11-5-1-4-8-15(11)20-10-12/h1,4-5,8,12-14,18H,2-3,6-7,9-10H2,(H,17,19)/t12?,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(1R,2R)-2-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-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 104927114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).