N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide

C24H34N2O3 — CID 9263320

IUPACN-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O3/c1-15-4-5-21(29-3)20(8-15)16(2)26-22(27)6-7-25-23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h4-5,8,16-19H,6-7,9-14H2,1-3H3,(H,25,28)(H,26,27)/t16-,17?,18?,19?,24?/m1/s1
InChIKeyGRAXKBBKOYNQBI-NXTQRVMMSA-N
MW398.55 g/mol
LogP3.90
Rot. Bonds7

About N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 9263320) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID9263320
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O3/c1-15-4-5-21(29-3)20(8-15)16(2)26-22(27)6-7-25-23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h4-5,8,16-19H,6-7,9-14H2,1-3H3,(H,25,28)(H,26,27)/t16-,17?,18?,19?,24?/m1/s1
InChIKeyGRAXKBBKOYNQBI-NXTQRVMMSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 86950290
N-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630855
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528675
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 51292727
3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51078699
2-(azetidin-3-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 64615985
N-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 51114201
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 30870609
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 9483406

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide (CID 9263320) is N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide is COc1ccc(C)cc1[C@@H](C)NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is GRAXKBBKOYNQBI-NXTQRVMMSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-15-4-5-21(29-3)20(8-15)16(2)26-22(27)6-7-25-23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h4-5,8,16-19H,6-7,9-14H2,1-3H3,(H,25,28)(H,26,27)/t16-,17?,18?,19?,24?/m1/s1.
What are the key properties of N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 9263320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).