N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide

C23H31NO4 — CID 39377991

IUPACN-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
SMILESCOc1ccc([C@@]2(CCN(Cc3ccco3)C(C)=O)CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H31NO4/c1-18(25)24(16-21-6-5-14-27-21)13-11-23(12-15-28-22(2,3)17-23)19-7-9-20(26-4)10-8-19/h5-10,14H,11-13,15-17H2,1-4H3/t23-/m0/s1
InChIKeyZCAXDZYYPZXIJY-QHCPKHFHSA-N
MW385.50 g/mol
LogP4.55
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide

N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide (PubChem CID 39377991) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
PubChem CID39377991
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC NameN-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
SMILESCOc1ccc([C@@]2(CCN(Cc3ccco3)C(C)=O)CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H31NO4/c1-18(25)24(16-21-6-5-14-27-21)13-11-23(12-15-28-22(2,3)17-23)19-7-9-20(26-4)10-8-19/h5-10,14H,11-13,15-17H2,1-4H3/t23-/m0/s1
InChIKeyZCAXDZYYPZXIJY-QHCPKHFHSA-N
XLogP4.55
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-[(2S,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethyl]acetamide
CID 1147415
N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 23796110
N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
CID 2040503
N-benzyl-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]furan-2-carboxamide
CID 40815429
4-[4-[[2,2-dimethylpropanoyl-[2-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]amino]methyl]phenoxy]cyclohexane-1-carboxylic acid
CID 176886368
N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 3761760
N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide
CID 35045613
N-(furan-2-ylmethyl)-N-[(3R)-3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
CID 1427005
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
2-[3-[4-[[2-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl-(3,3,3-trifluoro-2,2-dimethylpropyl)amino]methyl]phenyl]phenyl]acetic acid
CID 176886503
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine
CID 39378245
ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate
CID 3847451

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide (CID 39377991) is N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide is COc1ccc([C@@]2(CCN(Cc3ccco3)C(C)=O)CCOC(C)(C)C2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide?
The InChIKey is ZCAXDZYYPZXIJY-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H31NO4/c1-18(25)24(16-21-6-5-14-27-21)13-11-23(12-15-28-22(2,3)17-23)19-7-9-20(26-4)10-8-19/h5-10,14H,11-13,15-17H2,1-4H3/t23-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide?
N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide has a molecular weight of 385.50 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide is sourced from PubChem (CID 39377991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).