2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide

C24H25N5O3 — CID 3206351

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESCC(C)N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C24H25N5O3/c1-17(2)29(22(30)16-28-21-13-7-6-12-20(21)26-27-28)23(18-9-4-3-5-10-18)24(31)25-15-19-11-8-14-32-19/h3-14,17,23H,15-16H2,1-2H3,(H,25,31)
InChIKeyMOCVSFOEFLEOEP-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.32
Rot. Bonds8

About 2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide

2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide (PubChem CID 3206351) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
PubChem CID3206351
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESCC(C)N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C24H25N5O3/c1-17(2)29(22(30)16-28-21-13-7-6-12-20(21)26-27-28)23(18-9-4-3-5-10-18)24(31)25-15-19-11-8-14-32-19/h3-14,17,23H,15-16H2,1-2H3,(H,25,31)
InChIKeyMOCVSFOEFLEOEP-UHFFFAOYSA-N
XLogP3.32
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Asn04885796
CID 3191600
N-Furan-2-ylmethyl-N-isopropyl-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10156140
2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-(2-furylmethyl)acetamide
CID 2227057
1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide
CID 1028319
N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 644432
2-[(2-Benzotriazol-1-yl-acetyl)-(4-methoxy-phenyl)-amino]-N-furan-2-ylmethyl-2-(5-methyl-furan-2-yl)-acetamide
CID 644611
2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-(2,6-dimethyl-phenyl)-2-thiophen-2-yl-acetamide
CID 644667
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-o-tolyl-acetamide
CID 644932
2-[(2-Benzotriazol-1-yl-acetyl)-(3-methoxy-phenyl)-amino]-N-furan-2-ylmethyl-2-pyridin-3-yl-acetamide
CID 645568
2-[(2-Benzotriazol-1-yl-acetyl)-m-tolyl-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 645895
2-[Benzo[1,3]dioxol-5-ylmethyl-(2-benzotriazol-1-yl-acetyl)-amino]-N-tert-butyl-2-furan-2-yl-acetamide
CID 646921
2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methylanilino)-N-(2-furanylmethyl)-2-(3-pyridinyl)acetamide
CID 647425

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide (CID 3206351) is 2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide is CC(C)N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccccc1.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The InChIKey is MOCVSFOEFLEOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17(2)29(22(30)16-28-21-13-7-6-12-20(21)26-27-28)23(18-9-4-3-5-10-18)24(31)25-15-19-11-8-14-32-19/h3-14,17,23H,15-16H2,1-2H3,(H,25,31).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 431.50 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 3206351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).