2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide

C19H27N5O2 — CID 55924710

IUPAC2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)NCCCCn2ccnc2)c(C)c1
InChIInChI=1S/C19H27N5O2/c1-14-10-15(2)18(16(3)11-14)23-17(25)12-22-19(26)21-6-4-5-8-24-9-7-20-13-24/h7,9-11,13H,4-6,8,12H2,1-3H3,(H,23,25)(H2,21,22,26)
InChIKeyQJXBVHXNXNJZHJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.53
Rot. Bonds8

About 2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide

2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 55924710) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID55924710
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)NCCCCn2ccnc2)c(C)c1
InChIInChI=1S/C19H27N5O2/c1-14-10-15(2)18(16(3)11-14)23-17(25)12-22-19(26)21-6-4-5-8-24-9-7-20-13-24/h7,9-11,13H,4-6,8,12H2,1-3H3,(H,23,25)(H2,21,22,26)
InChIKeyQJXBVHXNXNJZHJ-UHFFFAOYSA-N
XLogP2.53
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 72883787
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
CID 110492282
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
2-[(4-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51579223
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide
CID 86977798
(E)-but-2-enedioic acid;N-(2,6-dimethylphenyl)-4-imidazol-1-ylbutanamide
CID 131715267

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide (CID 55924710) is 2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)NCCCCn2ccnc2)c(C)c1.
What is the InChIKey of 2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is QJXBVHXNXNJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-10-15(2)18(16(3)11-14)23-17(25)12-22-19(26)21-6-4-5-8-24-9-7-20-13-24/h7,9-11,13H,4-6,8,12H2,1-3H3,(H,23,25)(H2,21,22,26).
What are the key properties of 2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 55924710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).