N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide

C22H29ClN2O2 — CID 4805361

IUPACN-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
SMILESCC(NC(=O)CCNC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29ClN2O2/c1-14(22-11-15-8-16(12-22)10-17(9-15)13-22)25-20(26)6-7-24-21(27)18-2-4-19(23)5-3-18/h2-5,14-17H,6-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyOOKIJWLXWKSBEQ-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.18
Rot. Bonds6

About N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide

N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide (PubChem CID 4805361) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
PubChem CID4805361
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC NameN-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
SMILESCC(NC(=O)CCNC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29ClN2O2/c1-14(22-11-15-8-16(12-22)10-17(9-15)13-22)25-20(26)6-7-24-21(27)18-2-4-19(23)5-3-18/h2-5,14-17H,6-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyOOKIJWLXWKSBEQ-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 7929308
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 7689128
N-[3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 9475167
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 42908953
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide
CID 26519163
N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
CID 2918721
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 7929641

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide?
The IUPAC name of N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide (CID 4805361) is N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide is CC(NC(=O)CCNC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide?
The InChIKey is OOKIJWLXWKSBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-14(22-11-15-8-16(12-22)10-17(9-15)13-22)25-20(26)6-7-24-21(27)18-2-4-19(23)5-3-18/h2-5,14-17H,6-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide?
N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide has a molecular weight of 388.94 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide is sourced from PubChem (CID 4805361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).