4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide

C27H38N4O3 — CID 55693805

IUPAC4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C27H38N4O3/c1-17(2)23(31-24(32)20-10-12-21(13-11-20)27(5,6)7)25(33)28-16-19-8-14-22(15-9-19)30-26(34)29-18(3)4/h8-15,17-18,23H,16H2,1-7H3,(H,28,33)(H,31,32)(H2,29,30,34)
InChIKeyAZCSYXGCANZZPL-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.58
Rot. Bonds8

About 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide

4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide (PubChem CID 55693805) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide
PubChem CID55693805
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC Name4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C27H38N4O3/c1-17(2)23(31-24(32)20-10-12-21(13-11-20)27(5,6)7)25(33)28-16-19-8-14-22(15-9-19)30-26(34)29-18(3)4/h8-15,17-18,23H,16H2,1-7H3,(H,28,33)(H,31,32)(H2,29,30,34)
InChIKeyAZCSYXGCANZZPL-UHFFFAOYSA-N
XLogP4.58
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55387870
4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134050577
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
4-fluoro-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 18276547
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 2088469
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
N-[(2S)-3-methyl-1-[[4-[[[(2R)-3-methyl-2-(pyridine-4-carbonylamino)butanoyl]amino]methyl]phenyl]methylamino]-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 90148624
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
4-tert-butyl-N-[(2S)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 98001662
2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 119730362

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide (CID 55693805) is 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide is CC(C)NC(=O)Nc1ccc(CNC(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide?
The InChIKey is AZCSYXGCANZZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-17(2)23(31-24(32)20-10-12-21(13-11-20)27(5,6)7)25(33)28-16-19-8-14-22(15-9-19)30-26(34)29-18(3)4/h8-15,17-18,23H,16H2,1-7H3,(H,28,33)(H,31,32)(H2,29,30,34).
What are the key properties of 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide?
4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide has a molecular weight of 466.63 g/mol, XLogP of 4.58, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide is sourced from PubChem (CID 55693805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).