N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide

C14H20N2O3 — CID 120948053

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1CNCC1O
InChIInChI=1S/C14H20N2O3/c1-10(19-12-5-3-2-4-6-12)14(18)16-8-11-7-15-9-13(11)17/h2-6,10-11,13,15,17H,7-9H2,1H3,(H,16,18)
InChIKeyFTMKSIKAEKNEQG-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.15
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide (PubChem CID 120948053) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
PubChem CID120948053
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1CNCC1O
InChIInChI=1S/C14H20N2O3/c1-10(19-12-5-3-2-4-6-12)14(18)16-8-11-7-15-9-13(11)17/h2-6,10-11,13,15,17H,7-9H2,1H3,(H,16,18)
InChIKeyFTMKSIKAEKNEQG-UHFFFAOYSA-N
XLogP0.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.15
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-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120945285
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944491
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N-ethyl-2-phenoxypropanamide
CID 4282518
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide
CID 120945132
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylsulfanylbutanamide
CID 120947547
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide (CID 120948053) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide?
The InChIKey is FTMKSIKAEKNEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(19-12-5-3-2-4-6-12)14(18)16-8-11-7-15-9-13(11)17/h2-6,10-11,13,15,17H,7-9H2,1H3,(H,16,18).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide has a molecular weight of 264.32 g/mol, XLogP of 0.15, 5 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-phenoxypropanamide is sourced from PubChem (CID 120948053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).