N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide

C19H30N4O2 — CID 122150236

IUPACN-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1NC(=O)NC1(CN(C)C)CCC1)C(C)=O
InChIInChI=1S/C19H30N4O2/c1-5-23(15(2)24)13-16-9-6-7-10-17(16)20-18(25)21-19(11-8-12-19)14-22(3)4/h6-7,9-10H,5,8,11-14H2,1-4H3,(H2,20,21,25)
InChIKeyXUZCXOXFLRCAIH-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.66
Rot. Bonds7

About N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide

N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide (PubChem CID 122150236) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide
PubChem CID122150236
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1NC(=O)NC1(CN(C)C)CCC1)C(C)=O
InChIInChI=1S/C19H30N4O2/c1-5-23(15(2)24)13-16-9-6-7-10-17(16)20-18(25)21-19(11-8-12-19)14-22(3)4/h6-7,9-10H,5,8,11-14H2,1-4H3,(H2,20,21,25)
InChIKeyXUZCXOXFLRCAIH-UHFFFAOYSA-N
XLogP2.66
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
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]-4-aminobutanamide
CID 119294565
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49278693
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55673060
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
CID 60553266
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55661305
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 34714029
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 46434978

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide?
The IUPAC name of N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide (CID 122150236) is N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide?
The canonical SMILES for N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide is CCN(Cc1ccccc1NC(=O)NC1(CN(C)C)CCC1)C(C)=O.
What is the InChIKey of N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide?
The InChIKey is XUZCXOXFLRCAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-23(15(2)24)13-16-9-6-7-10-17(16)20-18(25)21-19(11-8-12-19)14-22(3)4/h6-7,9-10H,5,8,11-14H2,1-4H3,(H2,20,21,25).
What are the key properties of N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide?
N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide has a molecular weight of 346.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[1-[(dimethylamino)methyl]cyclobutyl]carbamoylamino]phenyl]methyl]-N-ethylacetamide is sourced from PubChem (CID 122150236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).