3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate

C14H25N3O2 — CID 11010982

IUPAC3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate
SMILESCC(C)C(NC(=O)OCCCc1cnc[nH]1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-10(2)13(11(3)4)17-14(18)19-7-5-6-12-8-15-9-16-12/h8-11,13H,5-7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyDZINJPXLRDJYMP-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.75
Rot. Bonds7

About 3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate

3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate (PubChem CID 11010982) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate
PubChem CID11010982
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate
SMILESCC(C)C(NC(=O)OCCCc1cnc[nH]1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-10(2)13(11(3)4)17-14(18)19-7-5-6-12-8-15-9-16-12/h8-11,13H,5-7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyDZINJPXLRDJYMP-UHFFFAOYSA-N
XLogP2.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fub 465
CID 9989449
(R)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10680721
(S)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10489384
Cyclohexylmethyl N-[(1R,2R)-2-(3H-imidazol-4-yl)cyclopropyl]carbamate
CID 9860053
Dicyclopropylmethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester;C2H2O4
CID 10978306
3-(1H-imidazol-5-yl)propyl N-(2-methylpentyl)carbamate
CID 10515050
(R)-3-(1H-imidazol-4-yl)propyl heptan-2-ylcarbamate
CID 10515993
(R)-3-(1H-imidazol-4-yl)propyl pentan-2-ylcarbamate
CID 10537958
Ethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10679435
(S)-3-(1H-imidazol-4-yl)propyl 2-methylbutylcarbamate
CID 10776393
(R)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate
CID 10777275
3-(1H-imidazol-5-yl)propyl N-heptan-2-ylcarbamate
CID 10015825

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate (CID 11010982) is 3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate is CC(C)C(NC(=O)OCCCc1cnc[nH]1)C(C)C.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate?
The InChIKey is DZINJPXLRDJYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)13(11(3)4)17-14(18)19-7-5-6-12-8-15-9-16-12/h8-11,13H,5-7H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate has a molecular weight of 267.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate is sourced from PubChem (CID 11010982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).