(3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide

C18H28N2O2 — CID 10685957

IUPAC(3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
InChIInChI=1S/C18H28N2O2/c1-6-20(13(4)5)14-10-16-15(18(21)19-12(2)3)8-7-9-17(16)22-11-14/h7-9,12-14H,6,10-11H2,1-5H3,(H,19,21)/t14-/m1/s1
InChIKeyHHGVGUFLXPKXPZ-CQSZACIVSA-N
MW304.43 g/mol
LogP2.86
Rot. Bonds5

About (3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide

(3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 10685957) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID10685957
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
InChIInChI=1S/C18H28N2O2/c1-6-20(13(4)5)14-10-16-15(18(21)19-12(2)3)8-7-9-17(16)22-11-14/h7-9,12-14H,6,10-11H2,1-5H3,(H,19,21)/t14-/m1/s1
InChIKeyHHGVGUFLXPKXPZ-CQSZACIVSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide (CID 10685957) is (3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide is CCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1.
What is the InChIKey of (3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is HHGVGUFLXPKXPZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-20(13(4)5)14-10-16-15(18(21)19-12(2)3)8-7-9-17(16)22-11-14/h7-9,12-14H,6,10-11H2,1-5H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[ethyl(propan-2-yl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 10685957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).