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

C14H21NO2 — CID 145164338

IUPACN-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide
SMILESCC(C)(C)OCCc1ccccc1CNC=O
InChIInChI=1S/C14H21NO2/c1-14(2,3)17-9-8-12-6-4-5-7-13(12)10-15-11-16/h4-7,11H,8-10H2,1-3H3,(H,15,16)
InChIKeyNKFMHTZCMXWQGE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds6

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

N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide (PubChem CID 145164338) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide
PubChem CID145164338
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide
SMILESCC(C)(C)OCCc1ccccc1CNC=O
InChIInChI=1S/C14H21NO2/c1-14(2,3)17-9-8-12-6-4-5-7-13(12)10-15-11-16/h4-7,11H,8-10H2,1-3H3,(H,15,16)
InChIKeyNKFMHTZCMXWQGE-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;N-[(2-methylphenyl)methyl]formamide
CID 143352574
N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide
CID 110477125
potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide
CID 166137026
N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide
CID 143148178
tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate
CID 140632383
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid
CID 115949291
1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 172620668
3-[2-(propylaminomethyl)phenyl]propanal
CID 135192153
2-(2-ethylphenyl)ethyl formate
CID 58551958
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
N-benzylformamide
CID 139060556
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide?
The IUPAC name of N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide (CID 145164338) is N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide.
What is the SMILES notation for N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide?
The canonical SMILES for N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide is CC(C)(C)OCCc1ccccc1CNC=O.
What is the InChIKey of N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide?
The InChIKey is NKFMHTZCMXWQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)17-9-8-12-6-4-5-7-13(12)10-15-11-16/h4-7,11H,8-10H2,1-3H3,(H,15,16).
What are the key properties of N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide?
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide has a molecular weight of 235.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide is sourced from PubChem (CID 145164338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).