N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide

C19H22N2O3 — CID 94513081

IUPACN-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)20-19(22)21-11-13-24-14-12-21/h2-10,18H,11-14H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyFALDGPRWBABMBK-SFHVURJKSA-N
MW326.40 g/mol
LogP2.83
Rot. Bonds4

About N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide

N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide (PubChem CID 94513081) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
PubChem CID94513081
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)20-19(22)21-11-13-24-14-12-21/h2-10,18H,11-14H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyFALDGPRWBABMBK-SFHVURJKSA-N
XLogP2.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-anilino-N-[(4-methoxyphenyl)-phenylmethyl]pyrrolidine-1-carboxamide
CID 86903980
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-5-[(1S)-1-morpholin-4-ylethyl]furan-2-carboxamide
CID 51592336
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
N'-[(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboximidamide
CID 21312379
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9216219
4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
CID 108880527

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide?
The IUPAC name of N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide (CID 94513081) is N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide is COc1ccc([C@@H](NC(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide?
The InChIKey is FALDGPRWBABMBK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)20-19(22)21-11-13-24-14-12-21/h2-10,18H,11-14H2,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide?
N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide is sourced from PubChem (CID 94513081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).