N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide

C16H24Cl2N2O — CID 62837617

IUPACN-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide
SMILESCCNC(C)CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C16H24Cl2N2O/c1-5-19-12(4)8-16(21)20(11(2)3)10-13-6-7-14(17)15(18)9-13/h6-7,9,11-12,19H,5,8,10H2,1-4H3
InChIKeyVOEVSGQETZENGL-UHFFFAOYSA-N
MW331.29 g/mol
LogP4.12
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide

N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide (PubChem CID 62837617) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide
PubChem CID62837617
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide
SMILESCCNC(C)CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C16H24Cl2N2O/c1-5-19-12(4)8-16(21)20(11(2)3)10-13-6-7-14(17)15(18)9-13/h6-7,9,11-12,19H,5,8,10H2,1-4H3
InChIKeyVOEVSGQETZENGL-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(3,4-dichlorophenyl)methyl]butanamide
CID 100590790
3-[[benzyl(methyl)carbamoyl]amino]-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 56580420
2-bromo-N-[(3,4-dichlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 63463541
N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
CID 119740289
(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide
CID 100732982
2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide
CID 132670472
N-butan-2-yl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132986279
(E)-N-[(3,4-dichlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-propan-2-ylprop-2-enamide
CID 98917558
3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide
CID 62838320
(2S)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
CID 100589770
(2S)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
CID 100589757

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide (CID 62837617) is N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide is CCNC(C)CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide?
The InChIKey is VOEVSGQETZENGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O/c1-5-19-12(4)8-16(21)20(11(2)3)10-13-6-7-14(17)15(18)9-13/h6-7,9,11-12,19H,5,8,10H2,1-4H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide?
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide has a molecular weight of 331.29 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 62837617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).