4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide

C19H28Cl2N2O — CID 118797791

IUPAC4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide
SMILESC[C@@H](CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C19H28Cl2N2O/c1-14(7-11-23-10-2-4-18(22)24)13-19(8-3-9-19)15-5-6-16(20)17(21)12-15/h5-6,12,14,23H,2-4,7-11,13H2,1H3,(H2,22,24)/t14-/m0/s1
InChIKeyOZLLUGNMXJLQIE-AWEZNQCLSA-N
MW371.35 g/mol
LogP4.69
Rot. Bonds10

About 4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide

4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide (PubChem CID 118797791) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is 4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide.

Molecular Properties

Compound Name4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide
PubChem CID118797791
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide
SMILESC[C@@H](CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C19H28Cl2N2O/c1-14(7-11-23-10-2-4-18(22)24)13-19(8-3-9-19)15-5-6-16(20)17(21)12-15/h5-6,12,14,23H,2-4,7-11,13H2,1H3,(H2,22,24)/t14-/m0/s1
InChIKeyOZLLUGNMXJLQIE-AWEZNQCLSA-N
XLogP4.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide?
The IUPAC name of 4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide (CID 118797791) is 4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide.
What is the SMILES notation for 4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide?
The canonical SMILES for 4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide is C[C@@H](CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide?
The InChIKey is OZLLUGNMXJLQIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28Cl2N2O/c1-14(7-11-23-10-2-4-18(22)24)13-19(8-3-9-19)15-5-6-16(20)17(21)12-15/h5-6,12,14,23H,2-4,7-11,13H2,1H3,(H2,22,24)/t14-/m0/s1.
What are the key properties of 4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide?
4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide has a molecular weight of 371.35 g/mol, XLogP of 4.69, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-4-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide is sourced from PubChem (CID 118797791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).