3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate

C15H17N3O3 — CID 11808309

IUPAC3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate
SMILESCC(=O)c1cccc(NC(=O)OCCCc2cnc[nH]2)c1
InChIInChI=1S/C15H17N3O3/c1-11(19)12-4-2-5-13(8-12)18-15(20)21-7-3-6-14-9-16-10-17-14/h2,4-5,8-10H,3,6-7H2,1H3,(H,16,17)(H,18,20)
InChIKeyKUXNDWDHQWOKEJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.79
Rot. Bonds6

About 3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate

3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate (PubChem CID 11808309) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate
PubChem CID11808309
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate
SMILESCC(=O)c1cccc(NC(=O)OCCCc2cnc[nH]2)c1
InChIInChI=1S/C15H17N3O3/c1-11(19)12-4-2-5-13(8-12)18-15(20)21-7-3-6-14-9-16-10-17-14/h2,4-5,8-10H,3,6-7H2,1H3,(H,16,17)(H,18,20)
InChIKeyKUXNDWDHQWOKEJ-UHFFFAOYSA-N
XLogP2.79
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.79
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

3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate
CID 10062176
1-[3-(1H-imidazol-5-ylmethylamino)phenyl]ethanone
CID 117003485
3-(1H-imidazol-5-yl)propyl N-(2-methylpropyl)carbamate
CID 10727902
3-(1H-imidazol-5-yl)propyl N-(trifluoromethyl)carbamate
CID 19710619
3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
CID 10537959
methyl (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methylbutanoate
CID 10334021
3-(1H-imidazol-5-yl)propyl N-octylcarbamate
CID 10564790
bis[1-[3-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethylideneamino] oxalate
CID 173285706
3-(butoxycarbonylamino)benzoic acid
CID 70253445
ethyl 3-(1H-imidazol-5-ylmethylamino)benzoate
CID 55108831
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate (CID 11808309) is 3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate is CC(=O)c1cccc(NC(=O)OCCCc2cnc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate?
The InChIKey is KUXNDWDHQWOKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11(19)12-4-2-5-13(8-12)18-15(20)21-7-3-6-14-9-16-10-17-14/h2,4-5,8-10H,3,6-7H2,1H3,(H,16,17)(H,18,20).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate has a molecular weight of 287.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate is sourced from PubChem (CID 11808309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).