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

C16H24N2O2 — CID 120948957

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
SMILESCC(C)C(C(=O)NCC1CNCC1O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-11(2)15(12-6-4-3-5-7-12)16(20)18-9-13-8-17-10-14(13)19/h3-7,11,13-15,17,19H,8-10H2,1-2H3,(H,18,20)
InChIKeyNLHVUXZFIHSZLV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.12
Rot. Bonds5

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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide (PubChem CID 120948957) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
PubChem CID120948957
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
SMILESCC(C)C(C(=O)NCC1CNCC1O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-11(2)15(12-6-4-3-5-7-12)16(20)18-9-13-8-17-10-14(13)19/h3-7,11,13-15,17,19H,8-10H2,1-2H3,(H,18,20)
InChIKeyNLHVUXZFIHSZLV-UHFFFAOYSA-N
XLogP1.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride
CID 120943741
2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 120945699
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide
CID 120945132
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylsulfanylbutanamide
CID 120947547
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120945285
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
CID 120948169
2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120949038
2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120949029
3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 120943111
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944491
3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
CID 119449948

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide (CID 120948957) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide is CC(C)C(C(=O)NCC1CNCC1O)c1ccccc1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide?
The InChIKey is NLHVUXZFIHSZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)15(12-6-4-3-5-7-12)16(20)18-9-13-8-17-10-14(13)19/h3-7,11,13-15,17,19H,8-10H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide is sourced from PubChem (CID 120948957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).