N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide

C16H24N2O2 — CID 81324279

IUPACN-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N(Cc2ccccc2N)C(C)C)O1
InChIInChI=1S/C16H24N2O2/c1-11(2)18(10-13-6-4-5-7-14(13)17)16(19)15-9-8-12(3)20-15/h4-7,11-12,15H,8-10,17H2,1-3H3
InChIKeyTVXUJEYIJXTMLZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.57
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide

N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide (PubChem CID 81324279) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide
PubChem CID81324279
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N(Cc2ccccc2N)C(C)C)O1
InChIInChI=1S/C16H24N2O2/c1-11(2)18(10-13-6-4-5-7-14(13)17)16(19)15-9-8-12(3)20-15/h4-7,11-12,15H,8-10,17H2,1-3H3
InChIKeyTVXUJEYIJXTMLZ-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.57
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

1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700033
N-[[2-(aminomethyl)phenyl]methyl]-N,5-dimethyloxolane-2-carboxamide
CID 81325003
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81325316
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83136533
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yloxolane-2-carboxamide
CID 106626417
N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
CID 42789460
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide
CID 55000467
N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
CID 103205555
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
CID 63833559
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
CID 43460393

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide (CID 81324279) is N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide is CC1CCC(C(=O)N(Cc2ccccc2N)C(C)C)O1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide?
The InChIKey is TVXUJEYIJXTMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)18(10-13-6-4-5-7-14(13)17)16(19)15-9-8-12(3)20-15/h4-7,11-12,15H,8-10,17H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide?
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide is sourced from PubChem (CID 81324279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).