N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide

C23H25N3O4 — CID 8920331

IUPACN-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C23H25N3O4/c1-3-29-18-12-10-17(11-13-18)25-23(28)19-7-4-5-8-20(19)26-22(27)15-24-16(2)21-9-6-14-30-21/h4-14,16,24H,3,15H2,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyPOFFDEKLVIOTQW-INIZCTEOSA-N
MW407.47 g/mol
LogP4.22
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide

N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide (PubChem CID 8920331) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
PubChem CID8920331
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C23H25N3O4/c1-3-29-18-12-10-17(11-13-18)25-23(28)19-7-4-5-8-20(19)26-22(27)15-24-16(2)21-9-6-14-30-21/h4-14,16,24H,3,15H2,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyPOFFDEKLVIOTQW-INIZCTEOSA-N
XLogP4.22
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922799
N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922758
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 8918107
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8712443
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865
N-[4-[(2S)-butan-2-yl]phenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917865
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea
CID 8599987
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 4941425
2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 25387377

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide (CID 8920331) is N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccco2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
The InChIKey is POFFDEKLVIOTQW-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-29-18-12-10-17(11-13-18)25-23(28)19-7-4-5-8-20(19)26-22(27)15-24-16(2)21-9-6-14-30-21/h4-14,16,24H,3,15H2,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide has a molecular weight of 407.47 g/mol, XLogP of 4.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).