3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide

C16H24N2O — CID 115056058

IUPAC3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1cccc(CC2(N)CC2)c1
InChIInChI=1S/C16H24N2O/c1-12(2)18-15(19)7-6-13-4-3-5-14(10-13)11-16(17)8-9-16/h3-5,10,12H,6-9,11,17H2,1-2H3,(H,18,19)
InChIKeyZYVCMLXAFFRYIL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.18
Rot. Bonds6

About 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide

3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide (PubChem CID 115056058) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide
PubChem CID115056058
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1cccc(CC2(N)CC2)c1
InChIInChI=1S/C16H24N2O/c1-12(2)18-15(19)7-6-13-4-3-5-14(10-13)11-16(17)8-9-16/h3-5,10,12H,6-9,11,17H2,1-2H3,(H,18,19)
InChIKeyZYVCMLXAFFRYIL-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide (CID 115056058) is 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1cccc(CC2(N)CC2)c1.
What is the InChIKey of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide?
The InChIKey is ZYVCMLXAFFRYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)18-15(19)7-6-13-4-3-5-14(10-13)11-16(17)8-9-16/h3-5,10,12H,6-9,11,17H2,1-2H3,(H,18,19).
What are the key properties of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide?
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115056058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).