N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide

C18H25NO3 — CID 95964708

IUPACN-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
SMILESCc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C18H25NO3/c1-13-4-6-14(7-5-13)17-16(3-2-10-22-17)19-18(20)15-8-11-21-12-9-15/h4-7,15-17H,2-3,8-12H2,1H3,(H,19,20)/t16-,17-/m0/s1
InChIKeyXHQKTTMZQMAGOS-IRXDYDNUSA-N
MW303.40 g/mol
LogP2.76
Rot. Bonds3

About N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide

N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide (PubChem CID 95964708) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
PubChem CID95964708
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
SMILESCc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C18H25NO3/c1-13-4-6-14(7-5-13)17-16(3-2-10-22-17)19-18(20)15-8-11-21-12-9-15/h4-7,15-17H,2-3,8-12H2,1H3,(H,19,20)/t16-,17-/m0/s1
InChIKeyXHQKTTMZQMAGOS-IRXDYDNUSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119818112
N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119343321
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
CID 119818126
1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943
3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide
CID 95964683
2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide
CID 120991542
N-[(3S,4R)-4-(4-methylphenyl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70751647
(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide
CID 129467980
N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 95964717
2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438
(2S,3R)-2-(4-methylphenyl)oxan-3-amine
CID 95757199
2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
CID 119425325

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide (CID 95964708) is N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide is Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide?
The InChIKey is XHQKTTMZQMAGOS-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-4-6-14(7-5-13)17-16(3-2-10-22-17)19-18(20)15-8-11-21-12-9-15/h4-7,15-17H,2-3,8-12H2,1H3,(H,19,20)/t16-,17-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide?
N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 95964708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).