N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide

C27H40N2O3 — CID 3347654

IUPACN-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)(C)C
InChIInChI=1S/C27H40N2O3/c1-6-8-15-23(7-2)26(31)29(27(3,4)5)21-25(30)28(20-24-16-12-19-32-24)18-17-22-13-10-9-11-14-22/h9-14,16,19,23H,6-8,15,17-18,20-21H2,1-5H3
InChIKeyKFPILQJCQMFVCY-UHFFFAOYSA-N
MW440.63 g/mol
LogP5.69
Rot. Bonds12

About N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide

N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide (PubChem CID 3347654) has the molecular formula C27H40N2O3 and a molecular weight of 440.63 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide
PubChem CID3347654
Molecular FormulaC27H40N2O3
Molecular Weight440.63 g/mol
Exact Mass440.30
IUPAC NameN-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)(C)C
InChIInChI=1S/C27H40N2O3/c1-6-8-15-23(7-2)26(31)29(27(3,4)5)21-25(30)28(20-24-16-12-19-32-24)18-17-22-13-10-9-11-14-22/h9-14,16,19,23H,6-8,15,17-18,20-21H2,1-5H3
InChIKeyKFPILQJCQMFVCY-UHFFFAOYSA-N
XLogP5.69
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 3514353
N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4291964
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methylpropanamide
CID 7439809
N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5123105
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
CID 93109689
2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
2-[[(2S)-butan-2-yl]-(2-chloroacetyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 93109685
2-[ethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3303981
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-prop-2-enyltetradecanamide
CID 42664586

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide?
The IUPAC name of N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide (CID 3347654) is N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide.
What is the SMILES notation for N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide?
The canonical SMILES for N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide is CCCCC(CC)C(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide?
The InChIKey is KFPILQJCQMFVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O3/c1-6-8-15-23(7-2)26(31)29(27(3,4)5)21-25(30)28(20-24-16-12-19-32-24)18-17-22-13-10-9-11-14-22/h9-14,16,19,23H,6-8,15,17-18,20-21H2,1-5H3.
What are the key properties of N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide?
N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide has a molecular weight of 440.63 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 3347654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).