N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide

C20H29NO2 — CID 133256868

IUPACN-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide
SMILESCCC1(CC)CC(NC(=O)C2CCCCC2)c2ccccc2O1
InChIInChI=1S/C20H29NO2/c1-3-20(4-2)14-17(16-12-8-9-13-18(16)23-20)21-19(22)15-10-6-5-7-11-15/h8-9,12-13,15,17H,3-7,10-11,14H2,1-2H3,(H,21,22)
InChIKeySWOCAGZUBPRQPL-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.77
Rot. Bonds4

About N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide (PubChem CID 133256868) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide
PubChem CID133256868
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide
SMILESCCC1(CC)CC(NC(=O)C2CCCCC2)c2ccccc2O1
InChIInChI=1S/C20H29NO2/c1-3-20(4-2)14-17(16-12-8-9-13-18(16)23-20)21-19(22)15-10-6-5-7-11-15/h8-9,12-13,15,17H,3-7,10-11,14H2,1-2H3,(H,21,22)
InChIKeySWOCAGZUBPRQPL-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133187450
(3S)-1-[(2-chlorophenyl)methyl]-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 125064652
(3R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100668303
(3R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100668316
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100717605
1-[(4-bromophenyl)methylsulfonyl]-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100723976
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 100731205
(3S)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 125052234
(3S)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 125052232
4-(azepan-1-ylmethyl)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133161396

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide (CID 133256868) is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide is CCC1(CC)CC(NC(=O)C2CCCCC2)c2ccccc2O1.
What is the InChIKey of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide?
The InChIKey is SWOCAGZUBPRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-3-20(4-2)14-17(16-12-8-9-13-18(16)23-20)21-19(22)15-10-6-5-7-11-15/h8-9,12-13,15,17H,3-7,10-11,14H2,1-2H3,(H,21,22).
What are the key properties of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide?
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide has a molecular weight of 315.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 133256868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).