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

C29H36N2O3 — CID 3514353

IUPACN-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C29H36N2O3/c1-5-26(24-15-10-7-11-16-24)28(33)31(29(2,3)4)22-27(32)30(21-25-17-12-20-34-25)19-18-23-13-8-6-9-14-23/h6-17,20,26H,5,18-19,21-22H2,1-4H3
InChIKeyJTSLACNFNMEKIZ-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.67
Rot. Bonds10

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

N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide (PubChem CID 3514353) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide
PubChem CID3514353
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC NameN-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C29H36N2O3/c1-5-26(24-15-10-7-11-16-24)28(33)31(29(2,3)4)22-27(32)30(21-25-17-12-20-34-25)19-18-23-13-8-6-9-14-23/h6-17,20,26H,5,18-19,21-22H2,1-4H3
InChIKeyJTSLACNFNMEKIZ-UHFFFAOYSA-N
XLogP5.67
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide
CID 3347654
N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4291964
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methylpropanamide
CID 7439809
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]-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
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
CID 93109689
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966
2-[ethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3303981
2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3598706
N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5123105

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide?
The IUPAC name of N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide (CID 3514353) is N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide.
What is the SMILES notation for N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide?
The canonical SMILES for N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide is CCC(C(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide?
The InChIKey is JTSLACNFNMEKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-5-26(24-15-10-7-11-16-24)28(33)31(29(2,3)4)22-27(32)30(21-25-17-12-20-34-25)19-18-23-13-8-6-9-14-23/h6-17,20,26H,5,18-19,21-22H2,1-4H3.
What are the key properties of N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide?
N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide has a molecular weight of 460.62 g/mol, XLogP of 5.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide is sourced from PubChem (CID 3514353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).