3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide

C18H24N4O2 — CID 95300117

IUPAC3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide
SMILESCC(=O)N(CCC(=O)N[C@H](C)Cn1ccnc1)Cc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-15(12-21-11-9-19-14-21)20-18(24)8-10-22(16(2)23)13-17-6-4-3-5-7-17/h3-7,9,11,14-15H,8,10,12-13H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyNBSKBMISUQPEEW-OAHLLOKOSA-N
MW328.42 g/mol
LogP1.83
Rot. Bonds8

About 3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide

3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide (PubChem CID 95300117) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide
PubChem CID95300117
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide
SMILESCC(=O)N(CCC(=O)N[C@H](C)Cn1ccnc1)Cc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-15(12-21-11-9-19-14-21)20-18(24)8-10-22(16(2)23)13-17-6-4-3-5-7-17/h3-7,9,11,14-15H,8,10,12-13H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyNBSKBMISUQPEEW-OAHLLOKOSA-N
XLogP1.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide
CID 94024335
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107908503
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63591412
1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95273993

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide (CID 95300117) is 3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide is CC(=O)N(CCC(=O)N[C@H](C)Cn1ccnc1)Cc1ccccc1.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide?
The InChIKey is NBSKBMISUQPEEW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-15(12-21-11-9-19-14-21)20-18(24)8-10-22(16(2)23)13-17-6-4-3-5-7-17/h3-7,9,11,14-15H,8,10,12-13H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide?
3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide is sourced from PubChem (CID 95300117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).