methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate

C19H23N3O3 — CID 59397399

IUPACmethyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
SMILESCOC(=O)N(CC1CC1)c1ccc2c(c1)C(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C19H23N3O3/c1-24-19(23)22(11-13-2-3-13)16-4-5-18-17(9-16)14(6-7-25-18)8-15-10-20-12-21-15/h4-5,9-10,12-14H,2-3,6-8,11H2,1H3,(H,20,21)
InChIKeyXBQHQTDBCPJZOR-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.50
Rot. Bonds5

About methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate

methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate (PubChem CID 59397399) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate.

Molecular Properties

Compound Namemethyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
PubChem CID59397399
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
SMILESCOC(=O)N(CC1CC1)c1ccc2c(c1)C(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C19H23N3O3/c1-24-19(23)22(11-13-2-3-13)16-4-5-18-17(9-16)14(6-7-25-18)8-15-10-20-12-21-15/h4-5,9-10,12-14H,2-3,6-8,11H2,1H3,(H,20,21)
InChIKeyXBQHQTDBCPJZOR-UHFFFAOYSA-N
XLogP3.50
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate with MolForge

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Related Compounds

N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-propylacetamide
CID 59397394
3-methoxypropyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
CID 59397310
N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]pyridine-3-carboxamide
CID 59397409
3-cyano-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-2-methylguanidine
CID 89046376
1-(4-fluorophenyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]methanesulfonamide
CID 59397286
methyl N-ethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate
CID 59468790
methyl N-benzyl-N-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]carbamate
CID 59397353
2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 70287298
2-[8-fluoro-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]acetaldehyde;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 123205709
N-[4-(4,5-dihydro-1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]-N-ethylpyridine-4-carboxamide
CID 71080204
methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate
CID 59468808
5-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole
CID 58681399

Frequently Asked Questions

What is the IUPAC name of methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate?
The IUPAC name of methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate (CID 59397399) is methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate.
What is the SMILES notation for methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate?
The canonical SMILES for methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate is COC(=O)N(CC1CC1)c1ccc2c(c1)C(Cc1cnc[nH]1)CCO2.
What is the InChIKey of methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate?
The InChIKey is XBQHQTDBCPJZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-19(23)22(11-13-2-3-13)16-4-5-18-17(9-16)14(6-7-25-18)8-15-10-20-12-21-15/h4-5,9-10,12-14H,2-3,6-8,11H2,1H3,(H,20,21).
What are the key properties of methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate?
methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(cyclopropylmethyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate is sourced from PubChem (CID 59397399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).