N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide

C19H22N2O2 — CID 110407872

IUPACN-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
SMILESO=C(NCC1CCCO1)C(Cc1ccncc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c22-19(21-14-17-7-4-12-23-17)18(16-5-2-1-3-6-16)13-15-8-10-20-11-9-15/h1-3,5-6,8-11,17-18H,4,7,12-14H2,(H,21,22)
InChIKeyBOHFRPFCDMXCQM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.70
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide

N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide (PubChem CID 110407872) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
PubChem CID110407872
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
SMILESO=C(NCC1CCCO1)C(Cc1ccncc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c22-19(21-14-17-7-4-12-23-17)18(16-5-2-1-3-6-16)13-15-8-10-20-11-9-15/h1-3,5-6,8-11,17-18H,4,7,12-14H2,(H,21,22)
InChIKeyBOHFRPFCDMXCQM-UHFFFAOYSA-N
XLogP2.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[amino-(oxolan-2-ylmethylcarbamoylamino)methylidene]amino]cyclohexyl]-2,3-diphenylpropanamide
CID 20755712
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
1-[[(2S)-oxolan-2-yl]methyl]-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea
CID 9232926
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 129432264
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
1-benzyl-3-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-4-ylmethyl)thiourea
CID 40572590

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide (CID 110407872) is N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide is O=C(NCC1CCCO1)C(Cc1ccncc1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide?
The InChIKey is BOHFRPFCDMXCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(21-14-17-7-4-12-23-17)18(16-5-2-1-3-6-16)13-15-8-10-20-11-9-15/h1-3,5-6,8-11,17-18H,4,7,12-14H2,(H,21,22).
What are the key properties of N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide?
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110407872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).