[(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid

C19H22N2O3 — CID 139401376

IUPAC[(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid
SMILESCc1cccc(N(C)c2ccc3c(c2)OCC[C@H]3CNC(=O)O)c1
InChIInChI=1S/C19H22N2O3/c1-13-4-3-5-15(10-13)21(2)16-6-7-17-14(12-20-19(22)23)8-9-24-18(17)11-16/h3-7,10-11,14,20H,8-9,12H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyKZUKRLPJNCVGNY-AWEZNQCLSA-N
MW326.40 g/mol
LogP3.90
Rot. Bonds4

About [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid

[(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid (PubChem CID 139401376) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid
PubChem CID139401376
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid
SMILESCc1cccc(N(C)c2ccc3c(c2)OCC[C@H]3CNC(=O)O)c1
InChIInChI=1S/C19H22N2O3/c1-13-4-3-5-15(10-13)21(2)16-6-7-17-14(12-20-19(22)23)8-9-24-18(17)11-16/h3-7,10-11,14,20H,8-9,12H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyKZUKRLPJNCVGNY-AWEZNQCLSA-N
XLogP3.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid 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 [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid?
The IUPAC name of [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid (CID 139401376) is [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid.
What is the SMILES notation for [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid?
The canonical SMILES for [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid is Cc1cccc(N(C)c2ccc3c(c2)OCC[C@H]3CNC(=O)O)c1.
What is the InChIKey of [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid?
The InChIKey is KZUKRLPJNCVGNY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-4-3-5-15(10-13)21(2)16-6-7-17-14(12-20-19(22)23)8-9-24-18(17)11-16/h3-7,10-11,14,20H,8-9,12H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid?
[(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid has a molecular weight of 326.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-7-(N,3-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid is sourced from PubChem (CID 139401376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).