N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide

C26H38N2O2 — CID 7929308

IUPACN-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
SMILESC[C@@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H38N2O2/c1-17(26-14-18-11-19(15-26)13-20(12-18)16-26)28-23(29)9-10-27-24(30)21-5-7-22(8-6-21)25(2,3)4/h5-8,17-20H,9-16H2,1-4H3,(H,27,30)(H,28,29)/t17-,18?,19?,20?,26?/m1/s1
InChIKeyIMZQJSQLLMDRGY-ZFGQVMFLSA-N
MW410.60 g/mol
LogP4.83
Rot. Bonds6

About N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide

N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide (PubChem CID 7929308) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
PubChem CID7929308
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC NameN-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
SMILESC[C@@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H38N2O2/c1-17(26-14-18-11-19(15-26)13-20(12-18)16-26)28-23(29)9-10-27-24(30)21-5-7-22(8-6-21)25(2,3)4/h5-8,17-20H,9-16H2,1-4H3,(H,27,30)(H,28,29)/t17-,18?,19?,20?,26?/m1/s1
InChIKeyIMZQJSQLLMDRGY-ZFGQVMFLSA-N
XLogP4.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 4805361
N-[1-(1-adamantyl)ethyl]-4-(4-tert-butylphenoxy)butanamide
CID 4280324
N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 7689128
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide
CID 18166332
N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 17454177
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea
CID 108895013
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40882995

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide (CID 7929308) is N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide is C[C@@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide?
The InChIKey is IMZQJSQLLMDRGY-ZFGQVMFLSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-17(26-14-18-11-19(15-26)13-20(12-18)16-26)28-23(29)9-10-27-24(30)21-5-7-22(8-6-21)25(2,3)4/h5-8,17-20H,9-16H2,1-4H3,(H,27,30)(H,28,29)/t17-,18?,19?,20?,26?/m1/s1.
What are the key properties of N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide?
N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide has a molecular weight of 410.60 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide is sourced from PubChem (CID 7929308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).