N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide

C21H33N3O — CID 125161089

IUPACN-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)N[C@H](C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H33N3O/c1-3-19-22-5-7-24(19)6-4-20(25)23-15(2)11-21-12-16-8-17(13-21)10-18(9-16)14-21/h5,7,15-18H,3-4,6,8-14H2,1-2H3,(H,23,25)/t15-,16?,17?,18?,21?/m1/s1
InChIKeyFDVNBXKGLNXJOW-NEFAXPCMSA-N
MW343.52 g/mol
LogP3.95
Rot. Bonds7

About N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide

N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 125161089) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID125161089
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC NameN-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)N[C@H](C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H33N3O/c1-3-19-22-5-7-24(19)6-4-20(25)23-15(2)11-21-12-16-8-17(13-21)10-18(9-16)14-21/h5,7,15-18H,3-4,6,8-14H2,1-2H3,(H,23,25)/t15-,16?,17?,18?,21?/m1/s1
InChIKeyFDVNBXKGLNXJOW-NEFAXPCMSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 118766473
N-[(2S)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 125161090
(2R)-2-[3-(2-ethylimidazol-1-yl)propanoylamino]butanoic acid
CID 126445443
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 99974495
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131896789
3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide
CID 91762443
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 122557693
3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 125161054
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770993
3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide
CID 91763224
3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 131913488

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide (CID 125161089) is N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)N[C@H](C)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is FDVNBXKGLNXJOW-NEFAXPCMSA-N. The full InChI is InChI=1S/C21H33N3O/c1-3-19-22-5-7-24(19)6-4-20(25)23-15(2)11-21-12-16-8-17(13-21)10-18(9-16)14-21/h5,7,15-18H,3-4,6,8-14H2,1-2H3,(H,23,25)/t15-,16?,17?,18?,21?/m1/s1.
What are the key properties of N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide?
N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 343.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 125161089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).