2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide

C16H24N2O2 — CID 114928737

IUPAC2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide
SMILESCN(CC1CC(O)C1)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(11-13-9-14(19)10-13)16(20)15(17)8-7-12-5-3-2-4-6-12/h2-6,13-15,19H,7-11,17H2,1H3
InChIKeyJCDVEHXOBFDDHN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.18
Rot. Bonds6

About 2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide

2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide (PubChem CID 114928737) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide
PubChem CID114928737
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide
SMILESCN(CC1CC(O)C1)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(11-13-9-14(19)10-13)16(20)15(17)8-7-12-5-3-2-4-6-12/h2-6,13-15,19H,7-11,17H2,1H3
InChIKeyJCDVEHXOBFDDHN-UHFFFAOYSA-N
XLogP1.18
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-hydroxycyclobutyl)methyl]-5-methoxy-N-methylpentanamide
CID 81101474
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide
CID 114925251
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
CID 104984632
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide
CID 104984250
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide
CID 104984034
2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide
CID 106135501
N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide
CID 80672512
3-[(1S)-1,2-diphenylethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 99857981

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide (CID 114928737) is 2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide is CN(CC1CC(O)C1)C(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide?
The InChIKey is JCDVEHXOBFDDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(11-13-9-14(19)10-13)16(20)15(17)8-7-12-5-3-2-4-6-12/h2-6,13-15,19H,7-11,17H2,1H3.
What are the key properties of 2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide?
2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 114928737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).