methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate

C22H37N5O4 — CID 118313203

IUPACmethyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNC[C@@H](C)O2)C2CC2)nc1C(C)C
InChIInChI=1S/C22H37N5O4/c1-14(2)20-25-18(13-26(20)10-6-9-24-22(29)30-5)16(4)27(17-7-8-17)21(28)19-12-23-11-15(3)31-19/h13-17,19,23H,6-12H2,1-5H3,(H,24,29)/t15-,16-,19-/m1/s1
InChIKeyWUQNGNAPDNXWJE-GPMSIDNRSA-N
MW435.57 g/mol
LogP2.18
Rot. Bonds9

About methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate

methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate (PubChem CID 118313203) has the molecular formula C22H37N5O4 and a molecular weight of 435.57 g/mol. Its IUPAC name is methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate
PubChem CID118313203
Molecular FormulaC22H37N5O4
Molecular Weight435.57 g/mol
Exact Mass435.28
IUPAC Namemethyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNC[C@@H](C)O2)C2CC2)nc1C(C)C
InChIInChI=1S/C22H37N5O4/c1-14(2)20-25-18(13-26(20)10-6-9-24-22(29)30-5)16(4)27(17-7-8-17)21(28)19-12-23-11-15(3)31-19/h13-17,19,23H,6-12H2,1-5H3,(H,24,29)/t15-,16-,19-/m1/s1
InChIKeyWUQNGNAPDNXWJE-GPMSIDNRSA-N
XLogP2.18
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate (CID 118313203) is methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate is COC(=O)NCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNC[C@@H](C)O2)C2CC2)nc1C(C)C.
What is the InChIKey of methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate?
The InChIKey is WUQNGNAPDNXWJE-GPMSIDNRSA-N. The full InChI is InChI=1S/C22H37N5O4/c1-14(2)20-25-18(13-26(20)10-6-9-24-22(29)30-5)16(4)27(17-7-8-17)21(28)19-12-23-11-15(3)31-19/h13-17,19,23H,6-12H2,1-5H3,(H,24,29)/t15-,16-,19-/m1/s1.
What are the key properties of methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate?
methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate has a molecular weight of 435.57 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R,6R)-6-methylmorpholine-2-carbonyl]amino]ethyl]-2-propan-2-ylimidazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).