4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide

C18H26N2O4 — CID 59029560

IUPAC4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)C1=CC=C(C=O)C1)C(C)C
InChIInChI=1S/C18H26N2O4/c1-11(2)7-15(10-22)19-18(24)16(12(3)4)20-17(23)14-6-5-13(8-14)9-21/h5-6,9-12,15-16H,7-8H2,1-4H3,(H,19,24)(H,20,23)/t15-,16-/m0/s1
InChIKeyQIGBJVCJNXHOBO-HOTGVXAUSA-N
MW334.42 g/mol
LogP1.31
Rot. Bonds9

About 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide

4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 59029560) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID59029560
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)C1=CC=C(C=O)C1)C(C)C
InChIInChI=1S/C18H26N2O4/c1-11(2)7-15(10-22)19-18(24)16(12(3)4)20-17(23)14-6-5-13(8-14)9-21/h5-6,9-12,15-16H,7-8H2,1-4H3,(H,19,24)(H,20,23)/t15-,16-/m0/s1
InChIKeyQIGBJVCJNXHOBO-HOTGVXAUSA-N
XLogP1.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide
CID 25093407
(2R)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2R)-4-methyl-1-oxopentan-2-yl]butanamide
CID 11122265
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-methyl-N-[1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]butanamide
CID 118618423
(2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 140979670
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 173121896
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 154573898
2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 143591672
2-[[[4-methyl-1-[[4-methyl-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]methyl]benzoic acid
CID 22569061
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]benzamide
CID 54311703
S-cyclopentyl N-(4-methyl-1-oxopentan-2-yl)carbamothioate
CID 18711670

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide (CID 59029560) is 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide is CC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)C1=CC=C(C=O)C1)C(C)C.
What is the InChIKey of 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is QIGBJVCJNXHOBO-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-11(2)7-15(10-22)19-18(24)16(12(3)4)20-17(23)14-6-5-13(8-14)9-21/h5-6,9-12,15-16H,7-8H2,1-4H3,(H,19,24)(H,20,23)/t15-,16-/m0/s1.
What are the key properties of 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 59029560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).