2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate

C16H21N3O2 — CID 110429248

IUPAC2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
SMILESCC(C)COC(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C16H21N3O2/c1-12(2)11-21-16(20)18-14(13-7-5-4-6-8-13)15-17-9-10-19(15)3/h4-10,12,14H,11H2,1-3H3,(H,18,20)
InChIKeyMNFGPJWTUOAKCG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.89
Rot. Bonds5

About 2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate

2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate (PubChem CID 110429248) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
PubChem CID110429248
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
SMILESCC(C)COC(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C16H21N3O2/c1-12(2)11-21-16(20)18-14(13-7-5-4-6-8-13)15-17-9-10-19(15)3/h4-10,12,14H,11H2,1-3H3,(H,18,20)
InChIKeyMNFGPJWTUOAKCG-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 79349483
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 115426635
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
butyl N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]carbamate
CID 110429456
tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
CID 46533040
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645
1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 125161306
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate (CID 110429248) is 2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate is CC(C)COC(=O)NC(c1ccccc1)c1nccn1C.
What is the InChIKey of 2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate?
The InChIKey is MNFGPJWTUOAKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)11-21-16(20)18-14(13-7-5-4-6-8-13)15-17-9-10-19(15)3/h4-10,12,14H,11H2,1-3H3,(H,18,20).
What are the key properties of 2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate?
2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate has a molecular weight of 287.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate is sourced from PubChem (CID 110429248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).