N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide

C21H34N2O2 — CID 20560031

IUPACN-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide
SMILESCC(C)Oc1ccc(NC=O)c(CCC2CCC(C(C)C)CN2C)c1
InChIInChI=1S/C21H34N2O2/c1-15(2)18-7-9-19(23(5)13-18)8-6-17-12-20(25-16(3)4)10-11-21(17)22-14-24/h10-12,14-16,18-19H,6-9,13H2,1-5H3,(H,22,24)
InChIKeyZHBAXSCQQFYPBQ-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.34
Rot. Bonds8

About N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide

N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide (PubChem CID 20560031) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide
PubChem CID20560031
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide
SMILESCC(C)Oc1ccc(NC=O)c(CCC2CCC(C(C)C)CN2C)c1
InChIInChI=1S/C21H34N2O2/c1-15(2)18-7-9-19(23(5)13-18)8-6-17-12-20(25-16(3)4)10-11-21(17)22-14-24/h10-12,14-16,18-19H,6-9,13H2,1-5H3,(H,22,24)
InChIKeyZHBAXSCQQFYPBQ-UHFFFAOYSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
CID 20560061
2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
CID 20560104
N-[4-(2-ethyl-1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]formamide
CID 101043141
[4-benzamido-3-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] acetate
CID 20560025
N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide
CID 143776250
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
2-(methylamino)-5-propan-2-yloxybenzaldehyde
CID 121219252
(2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102733
(2R)-1-methyl-2-[[(1R)-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102473
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
N-(2-methyl-4-propan-2-yloxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853997

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide?
The IUPAC name of N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide (CID 20560031) is N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide.
What is the SMILES notation for N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide?
The canonical SMILES for N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide is CC(C)Oc1ccc(NC=O)c(CCC2CCC(C(C)C)CN2C)c1.
What is the InChIKey of N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide?
The InChIKey is ZHBAXSCQQFYPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-15(2)18-7-9-19(23(5)13-18)8-6-17-12-20(25-16(3)4)10-11-21(17)22-14-24/h10-12,14-16,18-19H,6-9,13H2,1-5H3,(H,22,24).
What are the key properties of N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide?
N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide has a molecular weight of 346.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide is sourced from PubChem (CID 20560031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).