N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide

C29H36N4O3 — CID 10323227

IUPACN-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccn2)cc1
InChIInChI=1S/C29H36N4O3/c1-19(2)23-10-9-11-24(20(3)4)26(23)32-28(35)31-18-29(5,25-12-7-8-17-30-25)33-27(34)21-13-15-22(36-6)16-14-21/h7-17,19-20H,18H2,1-6H3,(H,33,34)(H2,31,32,35)
InChIKeyFJUPVSKJDPGCRW-UHFFFAOYSA-N
MW488.63 g/mol
LogP5.80
Rot. Bonds9

About N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide

N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide (PubChem CID 10323227) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide
PubChem CID10323227
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC NameN-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccn2)cc1
InChIInChI=1S/C29H36N4O3/c1-19(2)23-10-9-11-24(20(3)4)26(23)32-28(35)31-18-29(5,25-12-7-8-17-30-25)33-27(34)21-13-15-22(36-6)16-14-21/h7-17,19-20H,18H2,1-6H3,(H,33,34)(H2,31,32,35)
InChIKeyFJUPVSKJDPGCRW-UHFFFAOYSA-N
XLogP5.80
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide (CID 10323227) is N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccn2)cc1.
What is the InChIKey of N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide?
The InChIKey is FJUPVSKJDPGCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-19(2)23-10-9-11-24(20(3)4)26(23)32-28(35)31-18-29(5,25-12-7-8-17-30-25)33-27(34)21-13-15-22(36-6)16-14-21/h7-17,19-20H,18H2,1-6H3,(H,33,34)(H2,31,32,35).
What are the key properties of N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide?
N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide has a molecular weight of 488.63 g/mol, XLogP of 5.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 10323227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).