methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate

C15H20N4O2 — CID 62956308

IUPACmethyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
SMILESCCCn1ccnc1CNc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C15H20N4O2/c1-3-9-19-10-8-16-14(19)11-17-12-4-6-13(7-5-12)18-15(20)21-2/h4-8,10,17H,3,9,11H2,1-2H3,(H,18,20)
InChIKeyRVHDPYWHYBRPOM-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.08
Rot. Bonds6

About methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate

methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate (PubChem CID 62956308) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
PubChem CID62956308
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
SMILESCCCn1ccnc1CNc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C15H20N4O2/c1-3-9-19-10-8-16-14(19)11-17-12-4-6-13(7-5-12)18-15(20)21-2/h4-8,10,17H,3,9,11H2,1-2H3,(H,18,20)
InChIKeyRVHDPYWHYBRPOM-UHFFFAOYSA-N
XLogP3.08
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea
CID 62349759
N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62955966
2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
CID 62955778
3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957381
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788244
3-chloro-4-propoxy-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955275
N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
CID 62350814

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate (CID 62956308) is methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate is CCCn1ccnc1CNc1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate?
The InChIKey is RVHDPYWHYBRPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-9-19-10-8-16-14(19)11-17-12-4-6-13(7-5-12)18-15(20)21-2/h4-8,10,17H,3,9,11H2,1-2H3,(H,18,20).
What are the key properties of methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate?
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 62956308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).