1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea

C14H19N3O — CID 110775099

IUPAC1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H19N3O/c1-3-8-15-14(18)16-9-12-10(2)17-13-7-5-4-6-11(12)13/h4-7,17H,3,8-9H2,1-2H3,(H2,15,16,18)
InChIKeyRKRQOJKUXANVAT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.69
Rot. Bonds4

About 1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea

1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea (PubChem CID 110775099) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
PubChem CID110775099
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H19N3O/c1-3-8-15-14(18)16-9-12-10(2)17-13-7-5-4-6-11(12)13/h4-7,17H,3,8-9H2,1-2H3,(H2,15,16,18)
InChIKeyRKRQOJKUXANVAT-UHFFFAOYSA-N
XLogP2.69
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329
phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782331
2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115186562
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
4-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813868

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea (CID 110775099) is 1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea is CCCNC(=O)NCc1c(C)[nH]c2ccccc12.
What is the InChIKey of 1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea?
The InChIKey is RKRQOJKUXANVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-8-15-14(18)16-9-12-10(2)17-13-7-5-4-6-11(12)13/h4-7,17H,3,8-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea?
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea has a molecular weight of 245.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea is sourced from PubChem (CID 110775099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).