N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride

C17H27ClN2O3 — CID 120945285

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-11(2)13-5-4-6-15(7-13)22-12(3)17(21)19-9-14-8-18-10-16(14)20;/h4-7,11-12,14,16,18,20H,8-10H2,1-3H3,(H,19,21);1H
InChIKeyLHSGCTXDWQJSAE-UHFFFAOYSA-N
MW342.87 g/mol
LogP1.70
Rot. Bonds6

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 120945285) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID120945285
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-11(2)13-5-4-6-15(7-13)22-12(3)17(21)19-9-14-8-18-10-16(14)20;/h4-7,11-12,14,16,18,20H,8-10H2,1-3H3,(H,19,21);1H
InChIKeyLHSGCTXDWQJSAE-UHFFFAOYSA-N
XLogP1.70
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 120948683
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944491
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119425040
4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
CID 63703160
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 120944779
cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride (CID 120945285) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride is CC(Oc1cccc(C(C)C)c1)C(=O)NCC1CNCC1O.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is LHSGCTXDWQJSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-11(2)13-5-4-6-15(7-13)22-12(3)17(21)19-9-14-8-18-10-16(14)20;/h4-7,11-12,14,16,18,20H,8-10H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120945285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).