N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide

C25H34N2O4 — CID 3423494

IUPACN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C25H34N2O4/c1-3-14-26(25(29)23(4-2)20-10-6-5-7-11-20)19-24(28)27(17-21-12-8-15-30-21)18-22-13-9-16-31-22/h5-8,10-12,15,22-23H,3-4,9,13-14,16-19H2,1-2H3
InChIKeyKGVUTUPBGYGBNN-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.22
Rot. Bonds11

About N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide

N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide (PubChem CID 3423494) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
PubChem CID3423494
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C25H34N2O4/c1-3-14-26(25(29)23(4-2)20-10-6-5-7-11-20)19-24(28)27(17-21-12-8-15-30-21)18-22-13-9-16-31-22/h5-8,10-12,15,22-23H,3-4,9,13-14,16-19H2,1-2H3
InChIKeyKGVUTUPBGYGBNN-UHFFFAOYSA-N
XLogP4.22
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 7225373
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416321
N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416323
cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide
CID 11891811
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
CID 93110010
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]hexanamide
CID 93110032
3-chloro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 7351365
2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-propylacetamide
CID 3963586
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5146813
2-[butyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 5145346
(E)-N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 7418257

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide (CID 3423494) is N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide is CCCN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)C(CC)c1ccccc1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The InChIKey is KGVUTUPBGYGBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-3-14-26(25(29)23(4-2)20-10-6-5-7-11-20)19-24(28)27(17-21-12-8-15-30-21)18-22-13-9-16-31-22/h5-8,10-12,15,22-23H,3-4,9,13-14,16-19H2,1-2H3.
What are the key properties of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide has a molecular weight of 426.56 g/mol, XLogP of 4.22, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide is sourced from PubChem (CID 3423494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).