N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide

C16H25NO3 — CID 143148178

IUPACN-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide
SMILESCc1c(O)ccc(CCNC=O)c1CCOC(C)(C)C
InChIInChI=1S/C16H25NO3/c1-12-14(8-10-20-16(2,3)4)13(5-6-15(12)19)7-9-17-11-18/h5-6,11,19H,7-10H2,1-4H3,(H,17,18)
InChIKeyPOAILRREBHTBMP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.35
Rot. Bonds7

About N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide

N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide (PubChem CID 143148178) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide
PubChem CID143148178
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide
SMILESCc1c(O)ccc(CCNC=O)c1CCOC(C)(C)C
InChIInChI=1S/C16H25NO3/c1-12-14(8-10-20-16(2,3)4)13(5-6-15(12)19)7-9-17-11-18/h5-6,11,19H,7-10H2,1-4H3,(H,17,18)
InChIKeyPOAILRREBHTBMP-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide
CID 166490078
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide
CID 145164338
N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide
CID 110477125
2-(2-formamidoethyl)-4-methylbenzenesulfonic acid
CID 88823138
ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
CID 153396785
4-(2-aminooxyethyl)-2,3-dimethylphenol
CID 117278812
2-methyl-3-prop-2-enyl-4-propylphenol
CID 175489443
ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide
CID 177178478
2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol
CID 152707169
N-[3-(dimethylamino)propyl]formamide;2,3,4-tris[(dimethylamino)methyl]phenol
CID 89407634
N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
CID 172569680
N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane
CID 172569679

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide?
The IUPAC name of N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide (CID 143148178) is N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide.
What is the SMILES notation for N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide?
The canonical SMILES for N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide is Cc1c(O)ccc(CCNC=O)c1CCOC(C)(C)C.
What is the InChIKey of N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide?
The InChIKey is POAILRREBHTBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-14(8-10-20-16(2,3)4)13(5-6-15(12)19)7-9-17-11-18/h5-6,11,19H,7-10H2,1-4H3,(H,17,18).
What are the key properties of N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide?
N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide has a molecular weight of 279.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide is sourced from PubChem (CID 143148178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).