[1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C32H39N5O4 — CID 11853459

IUPAC[1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCCNCC(=O)Nc1cccc(C(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C32H39N5O4/c1-3-33-23-30(38)34-26-13-9-12-25(22-26)31(39)36(2)20-21-37-18-16-27(17-19-37)41-32(40)35-29-15-8-7-14-28(29)24-10-5-4-6-11-24/h4-15,22,27,33H,3,16-21,23H2,1-2H3,(H,34,38)(H,35,40)
InChIKeyFVLWWWMNLRMVEP-UHFFFAOYSA-N
MW557.70 g/mol
LogP4.69
Rot. Bonds11

About [1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 11853459) has the molecular formula C32H39N5O4 and a molecular weight of 557.70 g/mol. Its IUPAC name is [1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID11853459
Molecular FormulaC32H39N5O4
Molecular Weight557.70 g/mol
Exact Mass557.30
IUPAC Name[1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCCNCC(=O)Nc1cccc(C(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C32H39N5O4/c1-3-33-23-30(38)34-26-13-9-12-25(22-26)31(39)36(2)20-21-37-18-16-27(17-19-37)41-32(40)35-29-15-8-7-14-28(29)24-10-5-4-6-11-24/h4-15,22,27,33H,3,16-21,23H2,1-2H3,(H,34,38)(H,35,40)
InChIKeyFVLWWWMNLRMVEP-UHFFFAOYSA-N
XLogP4.69
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.70
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 11853459) is [1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CCNCC(=O)Nc1cccc(C(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1.
What is the InChIKey of [1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is FVLWWWMNLRMVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O4/c1-3-33-23-30(38)34-26-13-9-12-25(22-26)31(39)36(2)20-21-37-18-16-27(17-19-37)41-32(40)35-29-15-8-7-14-28(29)24-10-5-4-6-11-24/h4-15,22,27,33H,3,16-21,23H2,1-2H3,(H,34,38)(H,35,40).
What are the key properties of [1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 557.70 g/mol, XLogP of 4.69, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 11853459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).