(2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide

C22H35NO3 — CID 97258974

IUPAC(2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide
SMILESC[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC1([C@@H](C)CCO)CCC1
InChIInChI=1S/C22H35NO3/c1-16(10-13-24)22(11-7-12-22)15-23-20(25)17(2)26-19-9-6-8-18(14-19)21(3,4)5/h6,8-9,14,16-17,24H,7,10-13,15H2,1-5H3,(H,23,25)/t16-,17+/m0/s1
InChIKeyZZLFDZQLMTVILV-DLBZAZTESA-N
MW361.53 g/mol
LogP4.06
Rot. Bonds8

About (2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide

(2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide (PubChem CID 97258974) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is (2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide
PubChem CID97258974
Molecular FormulaC22H35NO3
Molecular Weight361.53 g/mol
Exact Mass361.26
IUPAC Name(2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide
SMILESC[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC1([C@@H](C)CCO)CCC1
InChIInChI=1S/C22H35NO3/c1-16(10-13-24)22(11-7-12-22)15-23-20(25)17(2)26-19-9-6-8-18(14-19)21(3,4)5/h6,8-9,14,16-17,24H,7,10-13,15H2,1-5H3,(H,23,25)/t16-,17+/m0/s1
InChIKeyZZLFDZQLMTVILV-DLBZAZTESA-N
XLogP4.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride
CID 119995526
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
CID 55774306
N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 55770987
methyl 3-[2-(3-tert-butylphenoxy)propanoylamino]butanoate
CID 60559643
2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 46490501
(2R)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(3-methylphenoxy)propanamide
CID 94109673
2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid
CID 119172411
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387262
2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55780106
N-(2,2-diphenylpropyl)-2-(3-methylphenoxy)propanamide
CID 18272008
2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 112786159

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide?
The IUPAC name of (2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide (CID 97258974) is (2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide is C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC1([C@@H](C)CCO)CCC1.
What is the InChIKey of (2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide?
The InChIKey is ZZLFDZQLMTVILV-DLBZAZTESA-N. The full InChI is InChI=1S/C22H35NO3/c1-16(10-13-24)22(11-7-12-22)15-23-20(25)17(2)26-19-9-6-8-18(14-19)21(3,4)5/h6,8-9,14,16-17,24H,7,10-13,15H2,1-5H3,(H,23,25)/t16-,17+/m0/s1.
What are the key properties of (2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide?
(2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide has a molecular weight of 361.53 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-tert-butylphenoxy)-N-[[1-[(2S)-4-hydroxybutan-2-yl]cyclobutyl]methyl]propanamide is sourced from PubChem (CID 97258974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).