N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide

C17H19NO3 — CID 18177435

IUPACN-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide
SMILESCOc1ccc2ccc3c(c2c1)CC(CNC(C)=O)CO3
InChIInChI=1S/C17H19NO3/c1-11(19)18-9-12-7-16-15-8-14(20-2)5-3-13(15)4-6-17(16)21-10-12/h3-6,8,12H,7,9-10H2,1-2H3,(H,18,19)
InChIKeyLIERNWCQAQMEAW-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.54
Rot. Bonds3

About N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide

N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide (PubChem CID 18177435) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide
PubChem CID18177435
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide
SMILESCOc1ccc2ccc3c(c2c1)CC(CNC(C)=O)CO3
InChIInChI=1S/C17H19NO3/c1-11(19)18-9-12-7-16-15-8-14(20-2)5-3-13(15)4-6-17(16)21-10-12/h3-6,8,12H,7,9-10H2,1-2H3,(H,18,19)
InChIKeyLIERNWCQAQMEAW-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Agomelatine
CID 82148
N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CID 9870523
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
CID 9806449
Cifea
CID 53238181
N-[2-(2-Methoxy-1-naphthyl)ethyl]trifluoroacetamide
CID 11779359
N-cyclopropylcarbonyl-2-(7-methoxy-1-naphthyl)ethylamine
CID 164405
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630
Pentanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071632
4-Morpholineacetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071637
Cyclohexanecarboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071655

Frequently Asked Questions

What is the IUPAC name of N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide?
The IUPAC name of N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide (CID 18177435) is N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide?
The canonical SMILES for N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide is COc1ccc2ccc3c(c2c1)CC(CNC(C)=O)CO3.
What is the InChIKey of N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide?
The InChIKey is LIERNWCQAQMEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(19)18-9-12-7-16-15-8-14(20-2)5-3-13(15)4-6-17(16)21-10-12/h3-6,8,12H,7,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide?
N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide has a molecular weight of 285.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide is sourced from PubChem (CID 18177435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).