2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide

C18H28N4O3 — CID 49278693

IUPAC2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCCN(Cc1ccccc1NC(=O)NCC(=O)NCC(C)C)C(C)=O
InChIInChI=1S/C18H28N4O3/c1-5-22(14(4)23)12-15-8-6-7-9-16(15)21-18(25)20-11-17(24)19-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,19,24)(H2,20,21,25)
InChIKeyXRQCSTXHIZSZCP-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.95
Rot. Bonds8

About 2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide

2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide (PubChem CID 49278693) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
PubChem CID49278693
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCCN(Cc1ccccc1NC(=O)NCC(=O)NCC(C)C)C(C)=O
InChIInChI=1S/C18H28N4O3/c1-5-22(14(4)23)12-15-8-6-7-9-16(15)21-18(25)20-11-17(24)19-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,19,24)(H2,20,21,25)
InChIKeyXRQCSTXHIZSZCP-UHFFFAOYSA-N
XLogP1.95
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
2-(2-ethylanilino)-N-(2-methylpropyl)acetamide
CID 28583341
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 86826316
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 34714029
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 36856140
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55661305
N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide
CID 122150236
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
CID 60553266

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide (CID 49278693) is 2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide is CCN(Cc1ccccc1NC(=O)NCC(=O)NCC(C)C)C(C)=O.
What is the InChIKey of 2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is XRQCSTXHIZSZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-5-22(14(4)23)12-15-8-6-7-9-16(15)21-18(25)20-11-17(24)19-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,19,24)(H2,20,21,25).
What are the key properties of 2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 49278693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).