propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate

C15H21NO3 — CID 106821328

IUPACpropan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate
SMILESCOC1CC(Nc2ccc(C(=O)OC(C)C)cc2)C1
InChIInChI=1S/C15H21NO3/c1-10(2)19-15(17)11-4-6-12(7-5-11)16-13-8-14(9-13)18-3/h4-7,10,13-14,16H,8-9H2,1-3H3
InChIKeySEKFZWRUVPLRGN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.84
Rot. Bonds5

About propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate

propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate (PubChem CID 106821328) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate
PubChem CID106821328
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namepropan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate
SMILESCOC1CC(Nc2ccc(C(=O)OC(C)C)cc2)C1
InChIInChI=1S/C15H21NO3/c1-10(2)19-15(17)11-4-6-12(7-5-11)16-13-8-14(9-13)18-3/h4-7,10,13-14,16H,8-9H2,1-3H3
InChIKeySEKFZWRUVPLRGN-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
CID 104870363
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
propan-2-yl 4-carbonochloridoylbenzoate
CID 91331513
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-(cyclopropylcarbamothioylamino)benzoate
CID 8654514
4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
CID 106821257
propan-2-yl 4-acetylbenzoate
CID 10878303
propan-2-yl 4-(butan-2-ylamino)benzoate
CID 43684062
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
CID 65466796

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate (CID 106821328) is propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate is COC1CC(Nc2ccc(C(=O)OC(C)C)cc2)C1.
What is the InChIKey of propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate?
The InChIKey is SEKFZWRUVPLRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)19-15(17)11-4-6-12(7-5-11)16-13-8-14(9-13)18-3/h4-7,10,13-14,16H,8-9H2,1-3H3.
What are the key properties of propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate?
propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate is sourced from PubChem (CID 106821328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).