N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

C25H29N5O6 — CID 55963914

IUPACN-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C(C)C
InChIInChI=1S/C25H29N5O6/c1-15(2)22(29-23(33)18-6-4-5-7-19(18)36-3)24(34)28-17-10-8-16(9-11-17)27-20(31)12-13-30-21(32)14-26-25(30)35/h4-11,15,22H,12-14H2,1-3H3,(H,26,35)(H,27,31)(H,28,34)(H,29,33)
InChIKeyLNIWCEHEVNNEJC-UHFFFAOYSA-N
MW495.54 g/mol
LogP1.97
Rot. Bonds10

About N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide (PubChem CID 55963914) has the molecular formula C25H29N5O6 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
PubChem CID55963914
Molecular FormulaC25H29N5O6
Molecular Weight495.54 g/mol
Exact Mass495.21
IUPAC NameN-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C(C)C
InChIInChI=1S/C25H29N5O6/c1-15(2)22(29-23(33)18-6-4-5-7-19(18)36-3)24(34)28-17-10-8-16(9-11-17)27-20(31)12-13-30-21(32)14-26-25(30)35/h4-11,15,22H,12-14H2,1-3H3,(H,26,35)(H,27,31)(H,28,34)(H,29,33)
InChIKeyLNIWCEHEVNNEJC-UHFFFAOYSA-N
XLogP1.97
TPSA145.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 29204396
N-[1-[4-(azepane-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55991059
methyl 2-[[2-[4-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]phenyl]acetyl]amino]acetate
CID 55964992
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)butan-2-yl]benzamide
CID 9034878
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
methyl 4-[[(2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 8014904
N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634723
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55618847
[(2S)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847924
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide (CID 55963914) is N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C(C)C.
What is the InChIKey of N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The InChIKey is LNIWCEHEVNNEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O6/c1-15(2)22(29-23(33)18-6-4-5-7-19(18)36-3)24(34)28-17-10-8-16(9-11-17)27-20(31)12-13-30-21(32)14-26-25(30)35/h4-11,15,22H,12-14H2,1-3H3,(H,26,35)(H,27,31)(H,28,34)(H,29,33).
What are the key properties of N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide has a molecular weight of 495.54 g/mol, XLogP of 1.97, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 55963914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).