N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C19H23NO4 — CID 95188615

IUPACN-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)Cc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C19H23NO4/c1-3-20(12-15-5-4-8-23-15)18(21)10-14-11-19(22)24-17-9-13(2)6-7-16(14)17/h6-7,9,11,15H,3-5,8,10,12H2,1-2H3/t15-/m0/s1
InChIKeySEQNKYWXDIQPKC-HNNXBMFYSA-N
MW329.40 g/mol
LogP2.67
Rot. Bonds5

About N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 95188615) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID95188615
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)Cc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C19H23NO4/c1-3-20(12-15-5-4-8-23-15)18(21)10-14-11-19(22)24-17-9-13(2)6-7-16(14)17/h6-7,9,11,15H,3-5,8,10,12H2,1-2H3/t15-/m0/s1
InChIKeySEQNKYWXDIQPKC-HNNXBMFYSA-N
XLogP2.67
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 61435069
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 29349444
ethyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]acetate
CID 11609010
(7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7994556
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51091584
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35344277
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
ethyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfonyl]acetate
CID 11623988
2-(5-amino-2-pyridinyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 120625769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 95188615) is N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CCN(C[C@@H]1CCCO1)C(=O)Cc1cc(=O)oc2cc(C)ccc12.
What is the InChIKey of N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is SEQNKYWXDIQPKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-20(12-15-5-4-8-23-15)18(21)10-14-11-19(22)24-17-9-13(2)6-7-16(14)17/h6-7,9,11,15H,3-5,8,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95188615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).