N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide

C16H25N3O2 — CID 134124662

IUPACN-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide
SMILESCCCC(=O)N(CNC(=O)NC)c1c(C)cccc1CC
InChIInChI=1S/C16H25N3O2/c1-5-8-14(20)19(11-18-16(21)17-4)15-12(3)9-7-10-13(15)6-2/h7,9-10H,5-6,8,11H2,1-4H3,(H2,17,18,21)
InChIKeyBYJOCYUTOONIDS-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.58
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide

N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide (PubChem CID 134124662) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide
PubChem CID134124662
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide
SMILESCCCC(=O)N(CNC(=O)NC)c1c(C)cccc1CC
InChIInChI=1S/C16H25N3O2/c1-5-8-14(20)19(11-18-16(21)17-4)15-12(3)9-7-10-13(15)6-2/h7,9-10H,5-6,8,11H2,1-4H3,(H2,17,18,21)
InChIKeyBYJOCYUTOONIDS-UHFFFAOYSA-N
XLogP2.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide
CID 154104180
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
3-(2-ethyl-6-methyl-N-pentanoylanilino)-2-methylpropanoic acid
CID 82320927
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
3-amino-N-(2-ethyl-6-methylphenyl)-N-methylpropanamide
CID 28795015
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoacetic acid
CID 15842091
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113169493
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113125511
2,2-dichloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-3-oxobutanamide
CID 57299901
2-(N-acetyl-2-ethyl-6-methylanilino)-N-propan-2-ylacetamide
CID 113169400
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113169422

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide (CID 134124662) is N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide is CCCC(=O)N(CNC(=O)NC)c1c(C)cccc1CC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide?
The InChIKey is BYJOCYUTOONIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-8-14(20)19(11-18-16(21)17-4)15-12(3)9-7-10-13(15)6-2/h7,9-10H,5-6,8,11H2,1-4H3,(H2,17,18,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide?
N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide has a molecular weight of 291.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide is sourced from PubChem (CID 134124662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).