(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide

C16H23Cl2N3O2 — CID 40761168

IUPAC(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
SMILESC[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N3O2/c1-10(14(22)19-15(23)20-16(2,3)4)21(5)9-11-7-6-8-12(17)13(11)18/h6-8,10H,9H2,1-5H3,(H2,19,20,22,23)/t10-/m1/s1
InChIKeyBJCQHHNUIVQFQB-SNVBAGLBSA-N
MW360.29 g/mol
LogP3.44
Rot. Bonds4

About (2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide

(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide (PubChem CID 40761168) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is (2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
PubChem CID40761168
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
SMILESC[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N3O2/c1-10(14(22)19-15(23)20-16(2,3)4)21(5)9-11-7-6-8-12(17)13(11)18/h6-8,10H,9H2,1-5H3,(H2,19,20,22,23)/t10-/m1/s1
InChIKeyBJCQHHNUIVQFQB-SNVBAGLBSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 46697394
N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 51243139
N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 42911455
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24506904
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide
CID 55351839
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 51245206
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65060982
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057352
1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine
CID 107310059
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide (CID 40761168) is (2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide is C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
The InChIKey is BJCQHHNUIVQFQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2/c1-10(14(22)19-15(23)20-16(2,3)4)21(5)9-11-7-6-8-12(17)13(11)18/h6-8,10H,9H2,1-5H3,(H2,19,20,22,23)/t10-/m1/s1.
What are the key properties of (2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide has a molecular weight of 360.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 40761168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).