N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide

C25H32N2O4 — CID 86885972

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1cccc(CN(CC(=O)NC2CCOc3ccccc32)C2CCC(O)CC2)c1
InChIInChI=1S/C25H32N2O4/c1-30-21-6-4-5-18(15-21)16-27(19-9-11-20(28)12-10-19)17-25(29)26-23-13-14-31-24-8-3-2-7-22(23)24/h2-8,15,19-20,23,28H,9-14,16-17H2,1H3,(H,26,29)
InChIKeyARXOTQHSNLFHGQ-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.44
Rot. Bonds7

About N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide (PubChem CID 86885972) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
PubChem CID86885972
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1cccc(CN(CC(=O)NC2CCOc3ccccc32)C2CCC(O)CC2)c1
InChIInChI=1S/C25H32N2O4/c1-30-21-6-4-5-18(15-21)16-27(19-9-11-20(28)12-10-19)17-25(29)26-23-13-14-31-24-8-3-2-7-22(23)24/h2-8,15,19-20,23,28H,9-14,16-17H2,1H3,(H,26,29)
InChIKeyARXOTQHSNLFHGQ-UHFFFAOYSA-N
XLogP3.44
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 51133953
2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 86881269
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111597543
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 60512921
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 40938536
2-(3-acetylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17448836
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 46828754
4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 110929708
phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate
CID 60655546
N-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 86826322
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide (CID 86885972) is N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide is COc1cccc(CN(CC(=O)NC2CCOc3ccccc32)C2CCC(O)CC2)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is ARXOTQHSNLFHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-30-21-6-4-5-18(15-21)16-27(19-9-11-20(28)12-10-19)17-25(29)26-23-13-14-31-24-8-3-2-7-22(23)24/h2-8,15,19-20,23,28H,9-14,16-17H2,1H3,(H,26,29).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 424.54 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 86885972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).