N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide

C14H16N2O2 — CID 144805024

IUPACN-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCC(=O)N[C@H]1CC(C)(C)Oc2ccc(C#N)cc21
InChIInChI=1S/C14H16N2O2/c1-9(17)16-12-7-14(2,3)18-13-5-4-10(8-15)6-11(12)13/h4-6,12H,7H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyRMOZAWHVULFTLB-LBPRGKRZSA-N
MW244.29 g/mol
LogP2.30
Rot. Bonds1

About N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide

N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 144805024) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
PubChem CID144805024
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCC(=O)N[C@H]1CC(C)(C)Oc2ccc(C#N)cc21
InChIInChI=1S/C14H16N2O2/c1-9(17)16-12-7-14(2,3)18-13-5-4-10(8-15)6-11(12)13/h4-6,12H,7H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyRMOZAWHVULFTLB-LBPRGKRZSA-N
XLogP2.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxobutyl N-[(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]carbamate
CID 139716553
N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174719
ethyl N-[4-[(4-cyanophenyl)carbamothioylamino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]carbamate
CID 162663035
1-[(4S)-6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-cyanophenyl)thiourea
CID 87928673
(4S)-2,2-dimethyl-4-[(4-oxo-3H-quinazolin-2-yl)amino]-3,4-dihydrochromene-6-carbonitrile
CID 143422350
N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-ethylethanesulfonamide
CID 21257146
N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-oxobutanamide
CID 18601769
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
(3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxopropyl)-3,4-dihydrochromene-6-carbonitrile
CID 18643455
[4-[acetamido(acetyl)amino]-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate
CID 19021578
1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylurea
CID 15634868
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea
CID 11208334

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide (CID 144805024) is N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide is CC(=O)N[C@H]1CC(C)(C)Oc2ccc(C#N)cc21.
What is the InChIKey of N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is RMOZAWHVULFTLB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(17)16-12-7-14(2,3)18-13-5-4-10(8-15)6-11(12)13/h4-6,12H,7H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 244.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 144805024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).