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

C26H29ClN2O3 — CID 4291964

IUPACN-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccccc1Cl
InChIInChI=1S/C26H29ClN2O3/c1-26(2,3)29(25(31)22-13-7-8-14-23(22)27)19-24(30)28(18-21-12-9-17-32-21)16-15-20-10-5-4-6-11-20/h4-14,17H,15-16,18-19H2,1-3H3
InChIKeyKWWVNDQJEBURDQ-UHFFFAOYSA-N
MW452.98 g/mol
LogP5.45
Rot. Bonds8

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

N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 4291964) has the molecular formula C26H29ClN2O3 and a molecular weight of 452.98 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
PubChem CID4291964
Molecular FormulaC26H29ClN2O3
Molecular Weight452.98 g/mol
Exact Mass452.19
IUPAC NameN-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccccc1Cl
InChIInChI=1S/C26H29ClN2O3/c1-26(2,3)29(25(31)22-13-7-8-14-23(22)27)19-24(30)28(18-21-12-9-17-32-21)16-15-20-10-5-4-6-11-20/h4-14,17H,15-16,18-19H2,1-3H3
InChIKeyKWWVNDQJEBURDQ-UHFFFAOYSA-N
XLogP5.45
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.98
LogP ≤ 55.45
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-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]hexanamide
CID 3347654
2-[tert-butyl-(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3598706
2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide
CID 1124595
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3953294
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-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862
2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
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-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide (CID 4291964) is N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide is CC(C)(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is KWWVNDQJEBURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3/c1-26(2,3)29(25(31)22-13-7-8-14-23(22)27)19-24(30)28(18-21-12-9-17-32-21)16-15-20-10-5-4-6-11-20/h4-14,17H,15-16,18-19H2,1-3H3.
What are the key properties of N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide?
N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 452.98 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4291964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).