1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea

C20H24N4O — CID 119110190

IUPAC1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H24N4O/c1-14(2)23-20(25)24-17-8-6-15(7-9-17)12-21-13-16-4-3-5-19-18(16)10-11-22-19/h3-11,14,21-22H,12-13H2,1-2H3,(H2,23,24,25)
InChIKeyUYJDXYYURJQOPF-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.99
Rot. Bonds6

About 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea

1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea (PubChem CID 119110190) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea
PubChem CID119110190
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H24N4O/c1-14(2)23-20(25)24-17-8-6-15(7-9-17)12-21-13-16-4-3-5-19-18(16)10-11-22-19/h3-11,14,21-22H,12-13H2,1-2H3,(H2,23,24,25)
InChIKeyUYJDXYYURJQOPF-UHFFFAOYSA-N
XLogP3.99
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766
1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052737
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119110268
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
CID 119109918
4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 119110260
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
1-[4-[[(3-ethoxyphenyl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052758
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
CID 110286300
2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38175338

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea (CID 119110190) is 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(CNCc2cccc3[nH]ccc23)cc1.
What is the InChIKey of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea?
The InChIKey is UYJDXYYURJQOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14(2)23-20(25)24-17-8-6-15(7-9-17)12-21-13-16-4-3-5-19-18(16)10-11-22-19/h3-11,14,21-22H,12-13H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea?
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea has a molecular weight of 336.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 119110190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).