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

C18H23N3O3 — CID 97205400

IUPACN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCOc1cccc2c1OC[C@@H](CNC(=O)CCCc1cn[nH]c1)C2
InChIInChI=1S/C18H23N3O3/c1-23-16-6-3-5-15-8-14(12-24-18(15)16)9-19-17(22)7-2-4-13-10-20-21-11-13/h3,5-6,10-11,14H,2,4,7-9,12H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyVBUMUKKGBTVHSD-CQSZACIVSA-N
MW329.40 g/mol
LogP2.11
Rot. Bonds7

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

N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 97205400) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID97205400
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCOc1cccc2c1OC[C@@H](CNC(=O)CCCc1cn[nH]c1)C2
InChIInChI=1S/C18H23N3O3/c1-23-16-6-3-5-15-8-14(12-24-18(15)16)9-19-17(22)7-2-4-13-10-20-21-11-13/h3,5-6,10-11,14H,2,4,7-9,12H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyVBUMUKKGBTVHSD-CQSZACIVSA-N
XLogP2.11
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
CID 72881967
3-[4-(dimethylamino)phenyl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
CID 72867682
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 97192487
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 72839596
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 97284153
N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 74250779
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
CID 97278413
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 72838629
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 97188775
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 72931030
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 97210078
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide (CID 97205400) is N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide is COc1cccc2c1OC[C@@H](CNC(=O)CCCc1cn[nH]c1)C2.
What is the InChIKey of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is VBUMUKKGBTVHSD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-16-6-3-5-15-8-14(12-24-18(15)16)9-19-17(22)7-2-4-13-10-20-21-11-13/h3,5-6,10-11,14H,2,4,7-9,12H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1.
What are the key properties of N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 329.40 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 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]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 97205400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).