(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide

C18H27N3O3 — CID 129461179

IUPAC(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide
SMILESC[C@H](NC[C@H]1CN(C)CCO1)C(=O)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C18H27N3O3/c1-13(19-11-14-12-21(2)8-10-23-14)18(22)20-16-7-9-24-17-6-4-3-5-15(16)17/h3-6,13-14,16,19H,7-12H2,1-2H3,(H,20,22)/t13-,14-,16-/m0/s1
InChIKeyKNBSTWLCYCLRFI-DZKIICNBSA-N
MW333.43 g/mol
LogP0.94
Rot. Bonds5

About (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide

(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide (PubChem CID 129461179) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide
PubChem CID129461179
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide
SMILESC[C@H](NC[C@H]1CN(C)CCO1)C(=O)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C18H27N3O3/c1-13(19-11-14-12-21(2)8-10-23-14)18(22)20-16-7-9-24-17-6-4-3-5-15(16)17/h3-6,13-14,16,19H,7-12H2,1-2H3,(H,20,22)/t13-,14-,16-/m0/s1
InChIKeyKNBSTWLCYCLRFI-DZKIICNBSA-N
XLogP0.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide?
The IUPAC name of (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide (CID 129461179) is (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide?
The canonical SMILES for (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide is C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N[C@H]1CCOc2ccccc21.
What is the InChIKey of (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide?
The InChIKey is KNBSTWLCYCLRFI-DZKIICNBSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(19-11-14-12-21(2)8-10-23-14)18(22)20-16-7-9-24-17-6-4-3-5-15(16)17/h3-6,13-14,16,19H,7-12H2,1-2H3,(H,20,22)/t13-,14-,16-/m0/s1.
What are the key properties of (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide?
(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide has a molecular weight of 333.43 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide is sourced from PubChem (CID 129461179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).