[2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate

C23H29N3O4 — CID 4882849

IUPAC[2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate
SMILESCC(C)CC(NC(N)=O)C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H29N3O4/c1-17(2)13-20(25-23(24)29)22(28)30-16-21(27)26(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H3,24,25,29)
InChIKeyPBWXKNCPKZIQKB-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.84
Rot. Bonds10

About [2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate

[2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate (PubChem CID 4882849) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is [2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate.

Molecular Properties

Compound Name[2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate
PubChem CID4882849
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name[2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate
SMILESCC(C)CC(NC(N)=O)C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H29N3O4/c1-17(2)13-20(25-23(24)29)22(28)30-16-21(27)26(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H3,24,25,29)
InChIKeyPBWXKNCPKZIQKB-UHFFFAOYSA-N
XLogP2.84
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-2-(3-Benzyl-ureido)-3-phenyl-propionic acid methyl ester
CID 1996476
(R)-2-(3-Benzyl-3-methyl-ureido)-3-phenyl-propionic acid methyl ester
CID 2026523
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 2435628
[2-(Benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547368
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
CID 3448368
[2-(Benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 3889313
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
CID 4788365
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate
CID 8900672
(2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl ester
CID 664321
methyl N-[(1-benzylpiperidin-4-yl)carbamoyl]-L-valinate
CID 664811
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2358073

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate?
The IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate (CID 4882849) is [2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate.
What is the SMILES notation for [2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate?
The canonical SMILES for [2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate is CC(C)CC(NC(N)=O)C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate?
The InChIKey is PBWXKNCPKZIQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-17(2)13-20(25-23(24)29)22(28)30-16-21(27)26(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H3,24,25,29).
What are the key properties of [2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate?
[2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate has a molecular weight of 411.50 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate is sourced from PubChem (CID 4882849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).