4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide

C15H20Cl2N2O2 — CID 66237454

IUPAC4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1COCC1N
InChIInChI=1S/C15H20Cl2N2O2/c1-9(2)19(15(20)11-7-21-8-14(11)18)6-10-3-4-12(16)13(17)5-10/h3-5,9,11,14H,6-8,18H2,1-2H3
InChIKeyMYXYUTGFCDZZPS-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.70
Rot. Bonds4

About 4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide

4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide (PubChem CID 66237454) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide
PubChem CID66237454
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1COCC1N
InChIInChI=1S/C15H20Cl2N2O2/c1-9(2)19(15(20)11-7-21-8-14(11)18)6-10-3-4-12(16)13(17)5-10/h3-5,9,11,14H,6-8,18H2,1-2H3
InChIKeyMYXYUTGFCDZZPS-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119298606
2-bromo-N-[(3,4-dichlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 63463541
2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497
tert-butyl 4-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 71632852
N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
CID 119740289
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 61163777
1-butanoyl-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 55990169
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide
CID 62837617
5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685188
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide (CID 66237454) is 4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide is CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is MYXYUTGFCDZZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-9(2)19(15(20)11-7-21-8-14(11)18)6-10-3-4-12(16)13(17)5-10/h3-5,9,11,14H,6-8,18H2,1-2H3.
What are the key properties of 4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide?
4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 331.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 66237454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).