3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate

C24H42N6O4 — CID 67730620

IUPAC3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate
SMILESCC(C)(C)CNC(=O)OCCCc1cnc[nH]1.CCC(C)(C)NC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/2C12H21N3O2/c1-12(2,3)8-14-11(16)17-6-4-5-10-7-13-9-15-10;1-4-12(2,3)15-11(16)17-7-5-6-10-8-13-9-14-10/h7,9H,4-6,8H2,1-3H3,(H,13,15)(H,14,16);8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyRWDNGIXZFMQSQK-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.37
Rot. Bonds11

About 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate

3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate (PubChem CID 67730620) has the molecular formula C24H42N6O4 and a molecular weight of 478.64 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate
PubChem CID67730620
Molecular FormulaC24H42N6O4
Molecular Weight478.64 g/mol
Exact Mass478.33
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate
SMILESCC(C)(C)CNC(=O)OCCCc1cnc[nH]1.CCC(C)(C)NC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/2C12H21N3O2/c1-12(2,3)8-14-11(16)17-6-4-5-10-7-13-9-15-10;1-4-12(2,3)15-11(16)17-7-5-6-10-8-13-9-14-10/h7,9H,4-6,8H2,1-3H3,(H,13,15)(H,14,16);8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyRWDNGIXZFMQSQK-UHFFFAOYSA-N
XLogP4.37
TPSA134.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(trifluoromethyl)carbamate
CID 19710619
3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
CID 10537959
3-(1H-imidazol-5-yl)propyl N-octylcarbamate
CID 10564790
3-(1H-imidazol-5-yl)propyl N-(2-methylpropyl)carbamate
CID 10727902
(Z)-but-2-enedioic acid;3-(1H-imidazol-5-yl)propyl N-[(E)-hex-2-enyl]carbamate
CID 54583422
methyl (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methylbutanoate
CID 10334021
3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate
CID 73346048
3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate
CID 10062176
3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate
CID 11808309
3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate
CID 10522002
ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate
CID 65231536
octyl 3-(1H-imidazol-5-yl)propanoate
CID 25133716

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate (CID 67730620) is 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate is CC(C)(C)CNC(=O)OCCCc1cnc[nH]1.CCC(C)(C)NC(=O)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate?
The InChIKey is RWDNGIXZFMQSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H21N3O2/c1-12(2,3)8-14-11(16)17-6-4-5-10-7-13-9-15-10;1-4-12(2,3)15-11(16)17-7-5-6-10-8-13-9-14-10/h7,9H,4-6,8H2,1-3H3,(H,13,15)(H,14,16);8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate has a molecular weight of 478.64 g/mol, XLogP of 4.37, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 67730620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).