1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea

C19H21N3O — CID 7615872

IUPAC1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O/c1-14(2)22(13-15-8-4-3-5-9-15)19(23)21-18-12-20-17-11-7-6-10-16(17)18/h3-12,14,20H,13H2,1-2H3,(H,21,23)
InChIKeyBXNLNLOUVJEXKS-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.61
Rot. Bonds4

About 1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea

1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea (PubChem CID 7615872) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea
PubChem CID7615872
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O/c1-14(2)22(13-15-8-4-3-5-9-15)19(23)21-18-12-20-17-11-7-6-10-16(17)18/h3-12,14,20H,13H2,1-2H3,(H,21,23)
InChIKeyBXNLNLOUVJEXKS-UHFFFAOYSA-N
XLogP4.61
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615873
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea
CID 108990757
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
1H-indol-3-ylcarbamic acid
CID 66672709
1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615867
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea (CID 7615872) is 1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea is CC(C)N(Cc1ccccc1)C(=O)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea?
The InChIKey is BXNLNLOUVJEXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(2)22(13-15-8-4-3-5-9-15)19(23)21-18-12-20-17-11-7-6-10-16(17)18/h3-12,14,20H,13H2,1-2H3,(H,21,23).
What are the key properties of 1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea?
1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea has a molecular weight of 307.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea is sourced from PubChem (CID 7615872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).