(2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide

C19H18N2O4 — CID 44541756

IUPAC(2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide
SMILESC[C@H](Nc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O
InChIInChI=1S/C19H18N2O4/c1-12(19(20)23)21-16-10-18(22)25-17-9-14(7-8-15(16)17)24-11-13-5-3-2-4-6-13/h2-10,12,21H,11H2,1H3,(H2,20,23)/t12-/m0/s1
InChIKeyOIFORSBJXPMZAX-LBPRGKRZSA-N
MW338.36 g/mol
LogP2.66
Rot. Bonds6

About (2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide

(2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide (PubChem CID 44541756) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide
PubChem CID44541756
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide
SMILESC[C@H](Nc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O
InChIInChI=1S/C19H18N2O4/c1-12(19(20)23)21-16-10-18(22)25-17-9-14(7-8-15(16)17)24-11-13-5-3-2-4-6-13/h2-10,12,21H,11H2,1H3,(H2,20,23)/t12-/m0/s1
InChIKeyOIFORSBJXPMZAX-LBPRGKRZSA-N
XLogP2.66
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide?
The IUPAC name of (2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide (CID 44541756) is (2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide.
What is the SMILES notation for (2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide?
The canonical SMILES for (2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide is C[C@H](Nc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O.
What is the InChIKey of (2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide?
The InChIKey is OIFORSBJXPMZAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(19(20)23)21-16-10-18(22)25-17-9-14(7-8-15(16)17)24-11-13-5-3-2-4-6-13/h2-10,12,21H,11H2,1H3,(H2,20,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide?
(2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide has a molecular weight of 338.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-oxo-7-phenylmethoxychromen-4-yl)amino]propanamide is sourced from PubChem (CID 44541756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).