N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide

C20H32N4O3 — CID 55913084

IUPACN-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C20H32N4O3/c1-7-16(5)22-17(25)8-9-21-20(27)24(6)12-18(26)23-19-14(3)10-13(2)11-15(19)4/h10-11,16H,7-9,12H2,1-6H3,(H,21,27)(H,22,25)(H,23,26)
InChIKeyVUPOGGSVZCSMKL-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.50
Rot. Bonds8

About N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide

N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide (PubChem CID 55913084) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide
PubChem CID55913084
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C20H32N4O3/c1-7-16(5)22-17(25)8-9-21-20(27)24(6)12-18(26)23-19-14(3)10-13(2)11-15(19)4/h10-11,16H,7-9,12H2,1-6H3,(H,21,27)(H,22,25)(H,23,26)
InChIKeyVUPOGGSVZCSMKL-UHFFFAOYSA-N
XLogP2.50
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide with MolForge

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Related Compounds

N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635329
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119291384
4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide
CID 94088031
(2R)-N-ethyl-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 8622377
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546
1-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 119291391
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27869376
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide (CID 55913084) is N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide is CCC(C)NC(=O)CCNC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide?
The InChIKey is VUPOGGSVZCSMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-7-16(5)22-17(25)8-9-21-20(27)24(6)12-18(26)23-19-14(3)10-13(2)11-15(19)4/h10-11,16H,7-9,12H2,1-6H3,(H,21,27)(H,22,25)(H,23,26).
What are the key properties of N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide?
N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide has a molecular weight of 376.50 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide is sourced from PubChem (CID 55913084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).