N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide

C13H26N2O — CID 79358642

IUPACN-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide
SMILESCC(C)NC(=O)CCNC1C(C)(C)C1(C)C
InChIInChI=1S/C13H26N2O/c1-9(2)15-10(16)7-8-14-11-12(3,4)13(11,5)6/h9,11,14H,7-8H2,1-6H3,(H,15,16)
InChIKeyTWJXAWWCVNBSSY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds5

About N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide

N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide (PubChem CID 79358642) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide
PubChem CID79358642
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide
SMILESCC(C)NC(=O)CCNC1C(C)(C)C1(C)C
InChIInChI=1S/C13H26N2O/c1-9(2)15-10(16)7-8-14-11-12(3,4)13(11,5)6/h9,11,14H,7-8H2,1-6H3,(H,15,16)
InChIKeyTWJXAWWCVNBSSY-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide?
The IUPAC name of N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide (CID 79358642) is N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide?
The canonical SMILES for N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide is CC(C)NC(=O)CCNC1C(C)(C)C1(C)C.
What is the InChIKey of N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide?
The InChIKey is TWJXAWWCVNBSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)15-10(16)7-8-14-11-12(3,4)13(11,5)6/h9,11,14H,7-8H2,1-6H3,(H,15,16).
What are the key properties of N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide?
N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide is sourced from PubChem (CID 79358642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).