(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

C22H26N4O2 — CID 94649304

IUPAC(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCn1ccnc1
InChIInChI=1S/C22H26N4O2/c1-16(2)21(22(28)24-10-12-26-11-9-23-15-26)25-20(27)14-17-7-8-18-5-3-4-6-19(18)13-17/h3-9,11,13,15-16,21H,10,12,14H2,1-2H3,(H,24,28)(H,25,27)/t21-/m0/s1
InChIKeyQRAJOCIVHDGIGO-NRFANRHFSA-N
MW378.48 g/mol
LogP2.54
Rot. Bonds8

About (2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (PubChem CID 94649304) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
PubChem CID94649304
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCn1ccnc1
InChIInChI=1S/C22H26N4O2/c1-16(2)21(22(28)24-10-12-26-11-9-23-15-26)25-20(27)14-17-7-8-18-5-3-4-6-19(18)13-17/h3-9,11,13,15-16,21H,10,12,14H2,1-2H3,(H,24,28)(H,25,27)/t21-/m0/s1
InChIKeyQRAJOCIVHDGIGO-NRFANRHFSA-N
XLogP2.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575678
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60610137
3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60578734
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
CID 120653472
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 51125355
N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51155778
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 25354479
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The IUPAC name of (2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (CID 94649304) is (2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The canonical SMILES for (2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCn1ccnc1.
What is the InChIKey of (2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The InChIKey is QRAJOCIVHDGIGO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(2)21(22(28)24-10-12-26-11-9-23-15-26)25-20(27)14-17-7-8-18-5-3-4-6-19(18)13-17/h3-9,11,13,15-16,21H,10,12,14H2,1-2H3,(H,24,28)(H,25,27)/t21-/m0/s1.
What are the key properties of (2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide has a molecular weight of 378.48 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is sourced from PubChem (CID 94649304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).