N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide

C16H29N5O4 — CID 51225716

IUPACN-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)NN1C(=O)NC(C)(CC)C1=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H29N5O4/c1-7-16(6)13(24)21(14(25)18-16)19-12(23)10-20(8-2)9-11(22)17-15(3,4)5/h7-10H2,1-6H3,(H,17,22)(H,18,25)(H,19,23)
InChIKeyYEGKYOLCQHYWQF-UHFFFAOYSA-N
MW355.44 g/mol
LogP-0.03
Rot. Bonds7

About N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide

N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide (PubChem CID 51225716) has the molecular formula C16H29N5O4 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide
PubChem CID51225716
Molecular FormulaC16H29N5O4
Molecular Weight355.44 g/mol
Exact Mass355.22
IUPAC NameN-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)NN1C(=O)NC(C)(CC)C1=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H29N5O4/c1-7-16(6)13(24)21(14(25)18-16)19-12(23)10-20(8-2)9-11(22)17-15(3,4)5/h7-10H2,1-6H3,(H,17,22)(H,18,25)(H,19,23)
InChIKeyYEGKYOLCQHYWQF-UHFFFAOYSA-N
XLogP-0.03
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide (CID 51225716) is N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide is CCN(CC(=O)NN1C(=O)NC(C)(CC)C1=O)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide?
The InChIKey is YEGKYOLCQHYWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O4/c1-7-16(6)13(24)21(14(25)18-16)19-12(23)10-20(8-2)9-11(22)17-15(3,4)5/h7-10H2,1-6H3,(H,17,22)(H,18,25)(H,19,23).
What are the key properties of N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide has a molecular weight of 355.44 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 51225716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).