3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea

C18H26N4O3 — CID 166309597

IUPAC3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea
SMILESCCCCCOc1ccc2cc(C(=O)NN(C)C(=O)NCC)[nH]c2c1
InChIInChI=1S/C18H26N4O3/c1-4-6-7-10-25-14-9-8-13-11-16(20-15(13)12-14)17(23)21-22(3)18(24)19-5-2/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,19,24)(H,21,23)
InChIKeyULNNLOMSZKKJDI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.04
Rot. Bonds7

About 3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea

3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea (PubChem CID 166309597) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea
PubChem CID166309597
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea
SMILESCCCCCOc1ccc2cc(C(=O)NN(C)C(=O)NCC)[nH]c2c1
InChIInChI=1S/C18H26N4O3/c1-4-6-7-10-25-14-9-8-13-11-16(20-15(13)12-14)17(23)21-22(3)18(24)19-5-2/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,19,24)(H,21,23)
InChIKeyULNNLOMSZKKJDI-UHFFFAOYSA-N
XLogP3.04
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55853367
methyl 6-butoxy-1H-indole-2-carboximidothioate
CID 168832216
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
6-butoxy-2-methyl-1H-indole
CID 154112736
1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 71895157
N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide
CID 57099013
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
N-[4-(dimethylamino)phenyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520492
N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide
CID 56532153
6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 60515636

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea?
The IUPAC name of 3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea (CID 166309597) is 3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea?
The canonical SMILES for 3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea is CCCCCOc1ccc2cc(C(=O)NN(C)C(=O)NCC)[nH]c2c1.
What is the InChIKey of 3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea?
The InChIKey is ULNNLOMSZKKJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-6-7-10-25-14-9-8-13-11-16(20-15(13)12-14)17(23)21-22(3)18(24)19-5-2/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,19,24)(H,21,23).
What are the key properties of 3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea?
3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea has a molecular weight of 346.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea is sourced from PubChem (CID 166309597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).