methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate

C19H26N4O3 — CID 102385747

IUPACmethyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
SMILESCCC1(C)c2ccccc2N(C)C12CC(C(=O)OC)=C(C)N2NC(N)=O
InChIInChI=1S/C19H26N4O3/c1-6-18(3)14-9-7-8-10-15(14)22(4)19(18)11-13(16(24)26-5)12(2)23(19)21-17(20)25/h7-10H,6,11H2,1-5H3,(H3,20,21,25)
InChIKeyGYTMSIKBZWKSSI-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.24
Rot. Bonds3

About methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate

methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate (PubChem CID 102385747) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
PubChem CID102385747
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Namemethyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
SMILESCCC1(C)c2ccccc2N(C)C12CC(C(=O)OC)=C(C)N2NC(N)=O
InChIInChI=1S/C19H26N4O3/c1-6-18(3)14-9-7-8-10-15(14)22(4)19(18)11-13(16(24)26-5)12(2)23(19)21-17(20)25/h7-10H,6,11H2,1-5H3,(H3,20,21,25)
InChIKeyGYTMSIKBZWKSSI-UHFFFAOYSA-N
XLogP2.24
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate with MolForge

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Related Compounds

ethyl (3aR,8bS)-3-(methoxycarbonylamino)-2,8b-dimethyl-3a,4-dihydropyrrolo[2,3-b]indole-1-carboxylate
CID 178252329
propan-2-yl (3aR,8bS)-3-(methoxycarbonylamino)-2,8b-dimethyl-3a,4-dihydropyrrolo[2,3-b]indole-1-carboxylate
CID 178252331
ethyl (3aR,8bS)-8b-butyl-3-(methoxycarbonylamino)-2,3a-dimethyl-4H-pyrrolo[2,3-b]indole-1-carboxylate
CID 178252332
ethyl (3aR,8bS)-3-(methoxycarbonylamino)-8b-(3-methoxy-3-oxopropyl)-2-methyl-3a,4-dihydropyrrolo[2,3-b]indole-1-carboxylate
CID 178252333
ethyl (3aR,8bS)-3-amino-2,8b-dimethyl-3a,4-dihydropyrrolo[2,3-b]indole-1-carboxylate
CID 178252336
tert-butyl (3aS,8bR)-3-(methoxycarbonylamino)-2,8b-dimethyl-3a-[(E)-2-phenylethenyl]-4H-pyrrolo[2,3-b]indole-1-carboxylate
CID 178252339
methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
CID 11696432
methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
CID 11711189
methyl 1-(carbamoylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
CID 102385756
methyl 1-(methoxycarbonylamino)-1',3',3',5-tetramethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
CID 102385757

Frequently Asked Questions

What is the IUPAC name of methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The IUPAC name of methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate (CID 102385747) is methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate.
What is the SMILES notation for methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The canonical SMILES for methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate is CCC1(C)c2ccccc2N(C)C12CC(C(=O)OC)=C(C)N2NC(N)=O.
What is the InChIKey of methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The InChIKey is GYTMSIKBZWKSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-6-18(3)14-9-7-8-10-15(14)22(4)19(18)11-13(16(24)26-5)12(2)23(19)21-17(20)25/h7-10H,6,11H2,1-5H3,(H3,20,21,25).
What are the key properties of methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(carbamoylamino)-3'-ethyl-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate is sourced from PubChem (CID 102385747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).