N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide

C15H22N2O2 — CID 104870299

IUPACN-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC2CC(OC)C2)c1
InChIInChI=1S/C15H22N2O2/c1-4-15(18)17-11-6-5-10(2)14(9-11)16-12-7-13(8-12)19-3/h5-6,9,12-13,16H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyTVIBCZRVSWKICY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.93
Rot. Bonds5

About N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide

N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide (PubChem CID 104870299) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide
PubChem CID104870299
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC2CC(OC)C2)c1
InChIInChI=1S/C15H22N2O2/c1-4-15(18)17-11-6-5-10(2)14(9-11)16-12-7-13(8-12)19-3/h5-6,9,12-13,16H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyTVIBCZRVSWKICY-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide
CID 106871646
N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
CID 61016600
N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
CID 104870720
N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide
CID 95789092
N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
CID 80561000
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylphenyl]propanamide
CID 82823652
N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54829023
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 103732850
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide (CID 104870299) is N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC2CC(OC)C2)c1.
What is the InChIKey of N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide?
The InChIKey is TVIBCZRVSWKICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-15(18)17-11-6-5-10(2)14(9-11)16-12-7-13(8-12)19-3/h5-6,9,12-13,16H,4,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide?
N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide has a molecular weight of 262.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 104870299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).