N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide

C13H23N5O2 — CID 125448282

IUPACN-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)N[C@@H](c1nccn1C)C(C)C
InChIInChI=1S/C13H23N5O2/c1-9(2)11(12-15-7-8-18(12)4)17-13(20)16-6-5-14-10(3)19/h7-9,11H,5-6H2,1-4H3,(H,14,19)(H2,16,17,20)/t11-/m1/s1
InChIKeyVGZWWRKXJYZXJB-LLVKDONJSA-N
MW281.36 g/mol
LogP0.55
Rot. Bonds6

About N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide

N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide (PubChem CID 125448282) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
PubChem CID125448282
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)N[C@@H](c1nccn1C)C(C)C
InChIInChI=1S/C13H23N5O2/c1-9(2)11(12-15-7-8-18(12)4)17-13(20)16-6-5-14-10(3)19/h7-9,11H,5-6H2,1-4H3,(H,14,19)(H2,16,17,20)/t11-/m1/s1
InChIKeyVGZWWRKXJYZXJB-LLVKDONJSA-N
XLogP0.55
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 122565254
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N-[3-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]propyl]acetamide
CID 36973030
2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
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3-hydroxy-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
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N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide
CID 62133096
1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
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N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
CID 125441329
4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 125437179
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide (CID 125448282) is N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)N[C@@H](c1nccn1C)C(C)C.
What is the InChIKey of N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide?
The InChIKey is VGZWWRKXJYZXJB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(2)11(12-15-7-8-18(12)4)17-13(20)16-6-5-14-10(3)19/h7-9,11H,5-6H2,1-4H3,(H,14,19)(H2,16,17,20)/t11-/m1/s1.
What are the key properties of N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide?
N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 125448282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).