N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide

C16H20N2O3 — CID 57225309

IUPACN-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide
SMILESC=CCOc1ccc2c(c1)OC(C)(C)CC2=NNC(C)=O
InChIInChI=1S/C16H20N2O3/c1-5-8-20-12-6-7-13-14(18-17-11(2)19)10-16(3,4)21-15(13)9-12/h5-7,9H,1,8,10H2,2-4H3,(H,17,19)
InChIKeyYLGMMELBHIVOHA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.65
Rot. Bonds4

About N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide

N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide (PubChem CID 57225309) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide
PubChem CID57225309
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide
SMILESC=CCOc1ccc2c(c1)OC(C)(C)CC2=NNC(C)=O
InChIInChI=1S/C16H20N2O3/c1-5-8-20-12-6-7-13-14(18-17-11(2)19)10-16(3,4)21-15(13)9-12/h5-7,9H,1,8,10H2,2-4H3,(H,17,19)
InChIKeyYLGMMELBHIVOHA-UHFFFAOYSA-N
XLogP2.65
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-7-(3-methylbut-2-enoxy)-3H-chromen-4-one
CID 15609641
7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one
CID 107007272
7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one
CID 79167757
ethyl 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetate
CID 2728596
2,2-dimethyl-7-(2-thiophen-2-ylethoxy)-3H-chromen-4-one
CID 63774174
2,2-dimethyl-7-pent-4-ynoxy-3H-chromen-4-one
CID 112548369
2,2-dimethyl-7-(oxan-4-ylmethoxy)-3H-chromen-4-one
CID 62385499
2,2-dimethyl-7-[(3-methylphenyl)methoxy]-3H-chromen-4-one
CID 127038000
1-[(Z)-[2,2-dimethyl-6-[(2-methylphenyl)methoxy]-3H-chromen-4-ylidene]amino]-3-(2-ethylphenyl)thiourea
CID 46372710
1-(2-fluorophenyl)-3-[(E)-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)amino]thiourea
CID 46372057
7-[2-[benzyl(methyl)amino]ethoxy]-2,2-dimethyl-3H-chromen-4-one
CID 20570513
[(E)-(2,2,5-trimethyl-7-prop-2-ynoxy-3H-chromen-4-ylidene)amino]urea
CID 15116619

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide?
The IUPAC name of N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide (CID 57225309) is N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide.
What is the SMILES notation for N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide?
The canonical SMILES for N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide is C=CCOc1ccc2c(c1)OC(C)(C)CC2=NNC(C)=O.
What is the InChIKey of N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide?
The InChIKey is YLGMMELBHIVOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-8-20-12-6-7-13-14(18-17-11(2)19)10-16(3,4)21-15(13)9-12/h5-7,9H,1,8,10H2,2-4H3,(H,17,19).
What are the key properties of N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide?
N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-7-prop-2-enoxy-3H-chromen-4-ylidene)amino]acetamide is sourced from PubChem (CID 57225309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).