N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide

C11H20F3N3O2 — CID 78924288

IUPACN-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-3-8(2)17-9(18)4-5-16-10(19)6-15-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGRNDZIWTNBSQEE-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.56
Rot. Bonds8

About N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide

N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide (PubChem CID 78924288) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide
PubChem CID78924288
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC NameN-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-3-8(2)17-9(18)4-5-16-10(19)6-15-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGRNDZIWTNBSQEE-UHFFFAOYSA-N
XLogP0.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-6-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]hexanoic acid
CID 79261708
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008
N-[(2R)-1-hydroxypropan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 107218513
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924472
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
N-(1-piperidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958032
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide (CID 78924288) is N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide is CCC(C)NC(=O)CCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide?
The InChIKey is GRNDZIWTNBSQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-3-8(2)17-9(18)4-5-16-10(19)6-15-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide?
N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide has a molecular weight of 283.29 g/mol, XLogP of 0.56, 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-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide is sourced from PubChem (CID 78924288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).