N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C14H25N5O — CID 91788072

IUPACN-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)NCCCc2ncc[nH]2)CC1
InChIInChI=1S/C14H25N5O/c1-18-8-3-9-19(11-10-18)12-14(20)17-5-2-4-13-15-6-7-16-13/h6-7H,2-5,8-12H2,1H3,(H,15,16)(H,17,20)
InChIKeyUQQLAFSNLVNWND-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.10
Rot. Bonds6

About N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 91788072) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID91788072
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)NCCCc2ncc[nH]2)CC1
InChIInChI=1S/C14H25N5O/c1-18-8-3-9-19(11-10-18)12-14(20)17-5-2-4-13-15-6-7-16-13/h6-7H,2-5,8-12H2,1H3,(H,15,16)(H,17,20)
InChIKeyUQQLAFSNLVNWND-UHFFFAOYSA-N
XLogP0.10
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.10
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

N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
N-[(1H-imidazol-2-yl)methyl]acetamide
CID 18670192
N-butyl-2-imidazol-1-yl-acetamide
CID 44139807
N1-(tert-butyl)-N2-(2-(2-methyl-1H-imidazol-1-yl)ethyl)oxalamide
CID 45585497
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide
CID 53515125
[1-Oxo-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-2-yl]urea
CID 56778643
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 75424556
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 84585406
N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
CID 118741152
N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
CID 118744938
N-butyl-2-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 137653315
N-(4-aminobutyl)-N-[2-[(2-amino-2-oxoethyl)-(1H-imidazol-2-ylmethyl)amino]-2-oxoethyl]-2-(tridecylamino)acetamide
CID 145983440

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 91788072) is N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CN1CCCN(CC(=O)NCCCc2ncc[nH]2)CC1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is UQQLAFSNLVNWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-18-8-3-9-19(11-10-18)12-14(20)17-5-2-4-13-15-6-7-16-13/h6-7H,2-5,8-12H2,1H3,(H,15,16)(H,17,20).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 279.39 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 91788072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).