2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide

C16H22Cl2N2O — CID 65227497

IUPAC2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C16H22Cl2N2O/c1-10(2)13(8-19)16(21)20(12-4-5-12)9-11-3-6-14(17)15(18)7-11/h3,6-7,10,12-13H,4-5,8-9,19H2,1-2H3
InChIKeyQFTNPUHPMLERCR-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.72
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide

2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide (PubChem CID 65227497) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
PubChem CID65227497
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C16H22Cl2N2O/c1-10(2)13(8-19)16(21)20(12-4-5-12)9-11-3-6-14(17)15(18)7-11/h3,6-7,10,12-13H,4-5,8-9,19H2,1-2H3
InChIKeyQFTNPUHPMLERCR-UHFFFAOYSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide (CID 65227497) is 2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide is CC(C)C(CN)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide?
The InChIKey is QFTNPUHPMLERCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-10(2)13(8-19)16(21)20(12-4-5-12)9-11-3-6-14(17)15(18)7-11/h3,6-7,10,12-13H,4-5,8-9,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide?
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide has a molecular weight of 329.27 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 65227497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).