N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide

C20H23NO3 — CID 70019613

IUPACN-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)OCC(c1ccccc1)C2CCNC(C)=O
InChIInChI=1S/C20H23NO3/c1-14(22)21-11-10-17-18-9-8-16(23-2)12-20(18)24-13-19(17)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyZANGCEORQZHNKV-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide

N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide (PubChem CID 70019613) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide
PubChem CID70019613
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)OCC(c1ccccc1)C2CCNC(C)=O
InChIInChI=1S/C20H23NO3/c1-14(22)21-11-10-17-18-9-8-16(23-2)12-20(18)24-13-19(17)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyZANGCEORQZHNKV-UHFFFAOYSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-((2,6-Dimethoxy-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)benzyl)amino)ethyl)acetamide
CID 117941658
N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-phenalen-1-yl)-ethyl]-acetamide
CID 9948714
N-[2-(2,3-Dihydro-1H-benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340633
N-(3-(2-(3,5-dimethoxybenzyloxy)-5-methoxyphenyl)propyl)acetamide
CID 46884551
3-[[(2R)-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl]methylamino]propan-1-ol
CID 9923440
N-[2-(2,3,7,8,9,10-Hexahydro-1H-benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 10038961
N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
CID 15391789
N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide
CID 18177435
N-methyl((3R,4S)-4-(o-tolyloxy)-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 44587447
N-methyl((3S,4S)-4-(o-tolyloxy)-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 44587483
((3R,4R)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
CID 44587485
((3S,4S)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
CID 44587486

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide (CID 70019613) is N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide is COc1ccc2c(c1)OCC(c1ccccc1)C2CCNC(C)=O.
What is the InChIKey of N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide?
The InChIKey is ZANGCEORQZHNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(22)21-11-10-17-18-9-8-16(23-2)12-20(18)24-13-19(17)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide?
N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide is sourced from PubChem (CID 70019613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).