N-(2-aminoethyl)-4-propan-2-yloxybenzamide

C12H18N2O2 — CID 82335676

IUPACN-(2-aminoethyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCN)cc1
InChIInChI=1S/C12H18N2O2/c1-9(2)16-11-5-3-10(4-6-11)12(15)14-8-7-13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyIMNMSNPHBMFMEU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.16
Rot. Bonds5

About N-(2-aminoethyl)-4-propan-2-yloxybenzamide

N-(2-aminoethyl)-4-propan-2-yloxybenzamide (PubChem CID 82335676) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-propan-2-yloxybenzamide
PubChem CID82335676
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-aminoethyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCN)cc1
InChIInChI=1S/C12H18N2O2/c1-9(2)16-11-5-3-10(4-6-11)12(15)14-8-7-13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyIMNMSNPHBMFMEU-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 104681875
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 107833905
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
CID 79676602
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 92541687

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-aminoethyl)-4-propan-2-yloxybenzamide (CID 82335676) is N-(2-aminoethyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-propan-2-yloxybenzamide?
The InChIKey is IMNMSNPHBMFMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)16-11-5-3-10(4-6-11)12(15)14-8-7-13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-4-propan-2-yloxybenzamide?
N-(2-aminoethyl)-4-propan-2-yloxybenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 82335676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).