N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide

C22H26N2O4 — CID 97277367

IUPACN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide
SMILESCOc1ccc(C(=O)NC[C@H]2COc3ccccc3C2)cc1N1CCOCC1
InChIInChI=1S/C22H26N2O4/c1-26-21-7-6-18(13-19(21)24-8-10-27-11-9-24)22(25)23-14-16-12-17-4-2-3-5-20(17)28-15-16/h2-7,13,16H,8-12,14-15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyQIDCSPKKNJEBMN-INIZCTEOSA-N
MW382.46 g/mol
LogP2.51
Rot. Bonds5

About N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide (PubChem CID 97277367) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide
PubChem CID97277367
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide
SMILESCOc1ccc(C(=O)NC[C@H]2COc3ccccc3C2)cc1N1CCOCC1
InChIInChI=1S/C22H26N2O4/c1-26-21-7-6-18(13-19(21)24-8-10-27-11-9-24)22(25)23-14-16-12-17-4-2-3-5-20(17)28-15-16/h2-7,13,16H,8-12,14-15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyQIDCSPKKNJEBMN-INIZCTEOSA-N
XLogP2.51
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 51278188
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 97150277
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 97275621
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 51266896
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55576308
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 97123602
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide
CID 46977380
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 94232204

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide (CID 97277367) is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide is COc1ccc(C(=O)NC[C@H]2COc3ccccc3C2)cc1N1CCOCC1.
What is the InChIKey of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide?
The InChIKey is QIDCSPKKNJEBMN-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-21-7-6-18(13-19(21)24-8-10-27-11-9-24)22(25)23-14-16-12-17-4-2-3-5-20(17)28-15-16/h2-7,13,16H,8-12,14-15H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide?
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 97277367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).