N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

C16H25N3O2 — CID 113058034

IUPACN-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)18-16(21)17-6-7-19(14(5)20)15-9-12(3)8-13(4)10-15/h8-11H,6-7H2,1-5H3,(H2,17,18,21)
InChIKeySELAWOGEDHMJRR-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.36
Rot. Bonds5

About N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (PubChem CID 113058034) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
PubChem CID113058034
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)18-16(21)17-6-7-19(14(5)20)15-9-12(3)8-13(4)10-15/h8-11H,6-7H2,1-5H3,(H2,17,18,21)
InChIKeySELAWOGEDHMJRR-UHFFFAOYSA-N
XLogP2.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058454
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3,5-dimethylphenyl)acetamide
CID 113058035
N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062291
N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060111
N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060254
N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
CID 113057996
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062524
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113059769
N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 113064473
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
CID 113063711
2-(N-acetyl-3,5-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113168434
3-(N-acetyl-3,5-dimethylanilino)-2-methylpropanoic acid
CID 82320537

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (CID 113058034) is N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)NC(C)C)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The InChIKey is SELAWOGEDHMJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)18-16(21)17-6-7-19(14(5)20)15-9-12(3)8-13(4)10-15/h8-11H,6-7H2,1-5H3,(H2,17,18,21).
What are the key properties of N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113058034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).