4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide

C16H31N3O — CID 66432872

IUPAC4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide
SMILESCC(C)(C)NC(=O)CC(CN)NCC(C1CC1)C1CC1
InChIInChI=1S/C16H31N3O/c1-16(2,3)19-15(20)8-13(9-17)18-10-14(11-4-5-11)12-6-7-12/h11-14,18H,4-10,17H2,1-3H3,(H,19,20)
InChIKeyZSHOBTOELJGEQN-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.64
Rot. Bonds8

About 4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide

4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide (PubChem CID 66432872) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide
PubChem CID66432872
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide
SMILESCC(C)(C)NC(=O)CC(CN)NCC(C1CC1)C1CC1
InChIInChI=1S/C16H31N3O/c1-16(2,3)19-15(20)8-13(9-17)18-10-14(11-4-5-11)12-6-7-12/h11-14,18H,4-10,17H2,1-3H3,(H,19,20)
InChIKeyZSHOBTOELJGEQN-UHFFFAOYSA-N
XLogP1.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide (CID 66432872) is 4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide is CC(C)(C)NC(=O)CC(CN)NCC(C1CC1)C1CC1.
What is the InChIKey of 4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide?
The InChIKey is ZSHOBTOELJGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2,3)19-15(20)8-13(9-17)18-10-14(11-4-5-11)12-6-7-12/h11-14,18H,4-10,17H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide?
4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide has a molecular weight of 281.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-(2,2-dicyclopropylethylamino)butanamide is sourced from PubChem (CID 66432872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).