N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide

C16H25N3O3 — CID 124755398

IUPACN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
SMILESCn1ccnc1CN(C(=O)COC[C@H]1CCCCO1)C1CC1
InChIInChI=1S/C16H25N3O3/c1-18-8-7-17-15(18)10-19(13-5-6-13)16(20)12-21-11-14-4-2-3-9-22-14/h7-8,13-14H,2-6,9-12H2,1H3/t14-/m1/s1
InChIKeyQGTLHJRYYSPAKK-CQSZACIVSA-N
MW307.39 g/mol
LogP1.50
Rot. Bonds7

About N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide

N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide (PubChem CID 124755398) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
PubChem CID124755398
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
SMILESCn1ccnc1CN(C(=O)COC[C@H]1CCCCO1)C1CC1
InChIInChI=1S/C16H25N3O3/c1-18-8-7-17-15(18)10-19(13-5-6-13)16(20)12-21-11-14-4-2-3-9-22-14/h7-8,13-14H,2-6,9-12H2,1H3/t14-/m1/s1
InChIKeyQGTLHJRYYSPAKK-CQSZACIVSA-N
XLogP1.50
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91840823
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91842896
3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 64677936
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124849617
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 56915849
4-[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302424
1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 129328750
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate
CID 97185490
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide (CID 124755398) is N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide is Cn1ccnc1CN(C(=O)COC[C@H]1CCCCO1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide?
The InChIKey is QGTLHJRYYSPAKK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18-8-7-17-15(18)10-19(13-5-6-13)16(20)12-21-11-14-4-2-3-9-22-14/h7-8,13-14H,2-6,9-12H2,1H3/t14-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide?
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide is sourced from PubChem (CID 124755398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).