(3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide

C16H24N2O2 — CID 10850084

IUPAC(3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1C[C@@H](NC(C)C)CO2
InChIInChI=1S/C16H24N2O2/c1-10(2)17-12-8-14-13(16(19)18-11(3)4)6-5-7-15(14)20-9-12/h5-7,10-12,17H,8-9H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyCYHFTDWWMJQUST-GFCCVEGCSA-N
MW276.38 g/mol
LogP2.13
Rot. Bonds4

About (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide

(3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 10850084) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID10850084
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1C[C@@H](NC(C)C)CO2
InChIInChI=1S/C16H24N2O2/c1-10(2)17-12-8-14-13(16(19)18-11(3)4)6-5-7-15(14)20-9-12/h5-7,10-12,17H,8-9H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyCYHFTDWWMJQUST-GFCCVEGCSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide (CID 10850084) is (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide is CC(C)NC(=O)c1cccc2c1C[C@@H](NC(C)C)CO2.
What is the InChIKey of (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is CYHFTDWWMJQUST-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)17-12-8-14-13(16(19)18-11(3)4)6-5-7-15(14)20-9-12/h5-7,10-12,17H,8-9H2,1-4H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-propan-2-yl-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 10850084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).