2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide

C17H26N2O2 — CID 80555110

IUPAC2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
SMILESCN(CC1CCCOC1)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,14-6-8-15(18)9-7-14)16(20)19(3)11-13-5-4-10-21-12-13/h6-9,13H,4-5,10-12,18H2,1-3H3
InChIKeyBPWJRDOKHMFMIW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide

2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide (PubChem CID 80555110) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
PubChem CID80555110
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
SMILESCN(CC1CCCOC1)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,14-6-8-15(18)9-7-14)16(20)19(3)11-13-5-4-10-21-12-13/h6-9,13H,4-5,10-12,18H2,1-3H3
InChIKeyBPWJRDOKHMFMIW-UHFFFAOYSA-N
XLogP2.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(cyclopropylmethyl)-N,2-dimethylpropanamide
CID 80556761
2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 80555000
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 79812018
5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 81315949
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide
CID 55227786
2-carbamothioyl-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 113270652
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-2-propylpentanamide
CID 63711195

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
The IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide (CID 80555110) is 2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide is CN(CC1CCCOC1)C(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
The InChIKey is BPWJRDOKHMFMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,14-6-8-15(18)9-7-14)16(20)19(3)11-13-5-4-10-21-12-13/h6-9,13H,4-5,10-12,18H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide?
2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide is sourced from PubChem (CID 80555110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).