N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide

C16H25N3O2 — CID 86986380

IUPACN-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide
SMILESCc1ccc(NC(=O)N(C)CC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-11-7-8-13(12(2)9-11)17-15(21)19(6)10-14(20)18-16(3,4)5/h7-9H,10H2,1-6H3,(H,17,21)(H,18,20)
InChIKeyXKHQOBJELWNWKR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.68
Rot. Bonds3

About N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide

N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide (PubChem CID 86986380) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide
PubChem CID86986380
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide
SMILESCc1ccc(NC(=O)N(C)CC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-11-7-8-13(12(2)9-11)17-15(21)19(6)10-14(20)18-16(3,4)5/h7-9H,10H2,1-6H3,(H,17,21)(H,18,20)
InChIKeyXKHQOBJELWNWKR-UHFFFAOYSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8756798
N-tert-butyl-2-[(3,5-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986936
N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide
CID 47750330
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 8766654
2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
CID 86988353
1-tert-butyl-3-(2,4-dimethylphenyl)thiourea
CID 2797643
N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide
CID 86994927
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
3-[(2,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 61200119
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methylbenzoic acid
CID 61198060
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682254

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide (CID 86986380) is N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide is Cc1ccc(NC(=O)N(C)CC(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide?
The InChIKey is XKHQOBJELWNWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-7-8-13(12(2)9-11)17-15(21)19(6)10-14(20)18-16(3,4)5/h7-9H,10H2,1-6H3,(H,17,21)(H,18,20).
What are the key properties of N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide?
N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide is sourced from PubChem (CID 86986380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).