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

C14H20N2O — CID 115039048

IUPAC2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide
SMILESCNC(=O)C(C)c1cccc(CC2(N)CC2)c1
InChIInChI=1S/C14H20N2O/c1-10(13(17)16-2)12-5-3-4-11(8-12)9-14(15)6-7-14/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyVVQSUKHFDVPWHK-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.57
Rot. Bonds4

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

2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide (PubChem CID 115039048) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide
PubChem CID115039048
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide
SMILESCNC(=O)C(C)c1cccc(CC2(N)CC2)c1
InChIInChI=1S/C14H20N2O/c1-10(13(17)16-2)12-5-3-4-11(8-12)9-14(15)6-7-14/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyVVQSUKHFDVPWHK-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate
CID 115039579
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide
CID 115056058
1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
CID 58988184
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
CID 20823796
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513
1-[2-(3-benzylphenyl)propanoylamino]-3-cyclohexylurea
CID 59052017
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide
CID 106591319
2,4-bis[3-(bromomethyl)phenyl]pentan-3-one
CID 150659469
N-methyl-3-(3-propan-2-ylphenyl)propanamide
CID 122496353

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide?
The IUPAC name of 2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide (CID 115039048) is 2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for 2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide?
The canonical SMILES for 2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide is CNC(=O)C(C)c1cccc(CC2(N)CC2)c1.
What is the InChIKey of 2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide?
The InChIKey is VVQSUKHFDVPWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(13(17)16-2)12-5-3-4-11(8-12)9-14(15)6-7-14/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide?
2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 115039048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).