1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea

C22H28N4O2 — CID 70844204

IUPAC1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
SMILESCCCn1c(-c2ccc(NC(=O)NC(C)C)cc2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C22H28N4O2/c1-5-12-26-19-13-17(28-4)10-11-18(19)20(23)21(26)15-6-8-16(9-7-15)25-22(27)24-14(2)3/h6-11,13-14H,5,12,23H2,1-4H3,(H2,24,25,27)
InChIKeyBUMRQKWWMUOUCP-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.84
Rot. Bonds6

About 1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea

1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea (PubChem CID 70844204) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
PubChem CID70844204
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
SMILESCCCn1c(-c2ccc(NC(=O)NC(C)C)cc2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C22H28N4O2/c1-5-12-26-19-13-17(28-4)10-11-18(19)20(23)21(26)15-6-8-16(9-7-15)25-22(27)24-14(2)3/h6-11,13-14H,5,12,23H2,1-4H3,(H2,24,25,27)
InChIKeyBUMRQKWWMUOUCP-UHFFFAOYSA-N
XLogP4.84
TPSA81.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
CID 70666782
N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844699
1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea
CID 70825538
2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 70844442
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea
CID 58694419
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea;molecular hydrogen
CID 143184904
N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844494
1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate
CID 162035153
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 70844155
1-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-butylurea
CID 70844657
1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea
CID 70844333

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea (CID 70844204) is 1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea is CCCn1c(-c2ccc(NC(=O)NC(C)C)cc2)c(N)c2ccc(OC)cc21.
What is the InChIKey of 1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea?
The InChIKey is BUMRQKWWMUOUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-5-12-26-19-13-17(28-4)10-11-18(19)20(23)21(26)15-6-8-16(9-7-15)25-22(27)24-14(2)3/h6-11,13-14H,5,12,23H2,1-4H3,(H2,24,25,27).
What are the key properties of 1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea?
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea has a molecular weight of 380.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 70844204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).