N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide

C12H22N4O — CID 155582672

IUPACN-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
SMILESCC(=O)NCCCn1cnc(CNC(C)C)c1
InChIInChI=1S/C12H22N4O/c1-10(2)14-7-12-8-16(9-15-12)6-4-5-13-11(3)17/h8-10,14H,4-7H2,1-3H3,(H,13,17)
InChIKeyVWOMJNWLPBVCEZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds7

About N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide

N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide (PubChem CID 155582672) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
PubChem CID155582672
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
SMILESCC(=O)NCCCn1cnc(CNC(C)C)c1
InChIInChI=1S/C12H22N4O/c1-10(2)14-7-12-8-16(9-15-12)6-4-5-13-11(3)17/h8-10,14H,4-7H2,1-3H3,(H,13,17)
InChIKeyVWOMJNWLPBVCEZ-UHFFFAOYSA-N
XLogP0.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide
CID 142616156
N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719404
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719405
N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719440
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719505
N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide
CID 176596322
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone
CID 106719508
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368
N-[[1-(2-tert-butylsulfanylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114271401
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719484

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide?
The IUPAC name of N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide (CID 155582672) is N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide?
The canonical SMILES for N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide is CC(=O)NCCCn1cnc(CNC(C)C)c1.
What is the InChIKey of N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide?
The InChIKey is VWOMJNWLPBVCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)14-7-12-8-16(9-15-12)6-4-5-13-11(3)17/h8-10,14H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide?
N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide is sourced from PubChem (CID 155582672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).