1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide

C19H30N4O4 — CID 155917918

IUPAC1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
SMILESCCCO[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1NC(=O)c1cn(C)cn1
InChIInChI=1S/C19H30N4O4/c1-3-8-27-17-11-14(19(25)23-6-9-26-10-7-23)4-5-15(17)21-18(24)16-12-22(2)13-20-16/h12-15,17H,3-11H2,1-2H3,(H,21,24)/t14-,15+,17+/m0/s1
InChIKeyFKVGGVJLTGBHOW-ZMSDIMECSA-N
MW378.47 g/mol
LogP0.97
Rot. Bonds6

About 1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide

1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide (PubChem CID 155917918) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
PubChem CID155917918
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
SMILESCCCO[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1NC(=O)c1cn(C)cn1
InChIInChI=1S/C19H30N4O4/c1-3-8-27-17-11-14(19(25)23-6-9-26-10-7-23)4-5-15(17)21-18(24)16-12-22(2)13-20-16/h12-15,17H,3-11H2,1-2H3,(H,21,24)/t14-,15+,17+/m0/s1
InChIKeyFKVGGVJLTGBHOW-ZMSDIMECSA-N
XLogP0.97
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide (CID 155917918) is 1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide is CCCO[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1NC(=O)c1cn(C)cn1.
What is the InChIKey of 1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide?
The InChIKey is FKVGGVJLTGBHOW-ZMSDIMECSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-3-8-27-17-11-14(19(25)23-6-9-26-10-7-23)4-5-15(17)21-18(24)16-12-22(2)13-20-16/h12-15,17H,3-11H2,1-2H3,(H,21,24)/t14-,15+,17+/m0/s1.
What are the key properties of 1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide?
1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide is sourced from PubChem (CID 155917918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).