N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide

C35H46N2O — CID 10118389

IUPACN-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide
SMILESCCN(CC)CCCc1ccc(N(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C35H46N2O/c1-7-36(8-2)24-12-13-27-16-19-30(20-17-27)37(33(38)29-14-10-9-11-15-29)26-28-18-21-31-32(25-28)35(5,6)23-22-34(31,3)4/h9-11,14-21,25H,7-8,12-13,22-24,26H2,1-6H3
InChIKeyNWJUPEANJFVPBN-UHFFFAOYSA-N
MW510.77 g/mol
LogP8.16
Rot. Bonds10

About N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide

N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide (PubChem CID 10118389) has the molecular formula C35H46N2O and a molecular weight of 510.77 g/mol. Its IUPAC name is N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide
PubChem CID10118389
Molecular FormulaC35H46N2O
Molecular Weight510.77 g/mol
Exact Mass510.36
IUPAC NameN-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide
SMILESCCN(CC)CCCc1ccc(N(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C35H46N2O/c1-7-36(8-2)24-12-13-27-16-19-30(20-17-27)37(33(38)29-14-10-9-11-15-29)26-28-18-21-31-32(25-28)35(5,6)23-22-34(31,3)4/h9-11,14-21,25H,7-8,12-13,22-24,26H2,1-6H3
InChIKeyNWJUPEANJFVPBN-UHFFFAOYSA-N
XLogP8.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.77
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide?
The IUPAC name of N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide (CID 10118389) is N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide.
What is the SMILES notation for N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide?
The canonical SMILES for N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide is CCN(CC)CCCc1ccc(N(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide?
The InChIKey is NWJUPEANJFVPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N2O/c1-7-36(8-2)24-12-13-27-16-19-30(20-17-27)37(33(38)29-14-10-9-11-15-29)26-28-18-21-31-32(25-28)35(5,6)23-22-34(31,3)4/h9-11,14-21,25H,7-8,12-13,22-24,26H2,1-6H3.
What are the key properties of N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide?
N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide has a molecular weight of 510.77 g/mol, XLogP of 8.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide is sourced from PubChem (CID 10118389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).