N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide

C20H28N2O4 — CID 97210078

IUPACN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCOc1cccc2c1OC[C@@H](CNC(=O)CCN1CCCCCC1=O)C2
InChIInChI=1S/C20H28N2O4/c1-25-17-7-5-6-16-12-15(14-26-20(16)17)13-21-18(23)9-11-22-10-4-2-3-8-19(22)24/h5-7,15H,2-4,8-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyDYGPVDBJIDMFCK-OAHLLOKOSA-N
MW360.45 g/mol
LogP2.16
Rot. Bonds6

About N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide

N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 97210078) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID97210078
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCOc1cccc2c1OC[C@@H](CNC(=O)CCN1CCCCCC1=O)C2
InChIInChI=1S/C20H28N2O4/c1-25-17-7-5-6-16-12-15(14-26-20(16)17)13-21-18(23)9-11-22-10-4-2-3-8-19(22)24/h5-7,15H,2-4,8-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyDYGPVDBJIDMFCK-OAHLLOKOSA-N
XLogP2.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
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N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
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3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
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3-(2-oxoazepan-1-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)propanamide
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3-[4-(dimethylamino)phenyl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
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N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
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N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide
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N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide (CID 97210078) is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide is COc1cccc2c1OC[C@@H](CNC(=O)CCN1CCCCCC1=O)C2.
What is the InChIKey of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is DYGPVDBJIDMFCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-17-7-5-6-16-12-15(14-26-20(16)17)13-21-18(23)9-11-22-10-4-2-3-8-19(22)24/h5-7,15H,2-4,8-14H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 360.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 97210078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).