N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide

C22H29N5O4 — CID 46594516

IUPACN-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1=O
InChIInChI=1S/C22H29N5O4/c1-3-22(2)20(30)27(21(31)24-22)25-18(28)13-26(17-10-11-17)12-14-4-6-15(7-5-14)19(29)23-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3,(H,23,29)(H,24,31)(H,25,28)
InChIKeyANFJNWJYCIWEOA-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.29
Rot. Bonds9

About N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide (PubChem CID 46594516) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide
PubChem CID46594516
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1=O
InChIInChI=1S/C22H29N5O4/c1-3-22(2)20(30)27(21(31)24-22)25-18(28)13-26(17-10-11-17)12-14-4-6-15(7-5-14)19(29)23-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3,(H,23,29)(H,24,31)(H,25,28)
InChIKeyANFJNWJYCIWEOA-UHFFFAOYSA-N
XLogP1.29
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(cyclopropyl)amino]-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 34205258
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 8905929
N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 78847973
2-[benzyl(cyclopropyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 32512117
N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580785
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56540934
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 124838905
2-[bis(furan-2-ylmethyl)amino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40880178
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 40919131
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]methyl]benzamide
CID 33339728
4-[[(5-tert-butyl-2,3-dihydroxyphenyl)methyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34897257

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide (CID 46594516) is N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide is CCC1(C)NC(=O)N(NC(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1=O.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is ANFJNWJYCIWEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-3-22(2)20(30)27(21(31)24-22)25-18(28)13-26(17-10-11-17)12-14-4-6-15(7-5-14)19(29)23-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3,(H,23,29)(H,24,31)(H,25,28).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 427.51 g/mol, XLogP of 1.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 46594516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).