4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide

C16H23N3O2 — CID 120592934

IUPAC4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide
SMILESCCCn1ccc2ccc(NC(=O)CC(CN)OC)cc21
InChIInChI=1S/C16H23N3O2/c1-3-7-19-8-6-12-4-5-13(9-15(12)19)18-16(20)10-14(11-17)21-2/h4-6,8-9,14H,3,7,10-11,17H2,1-2H3,(H,18,20)
InChIKeyMTQOQUZGLOZPOU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds7

About 4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide

4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide (PubChem CID 120592934) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide
PubChem CID120592934
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide
SMILESCCCn1ccc2ccc(NC(=O)CC(CN)OC)cc21
InChIInChI=1S/C16H23N3O2/c1-3-7-19-8-6-12-4-5-13(9-15(12)19)18-16(20)10-14(11-17)21-2/h4-6,8-9,14H,3,7,10-11,17H2,1-2H3,(H,18,20)
InChIKeyMTQOQUZGLOZPOU-UHFFFAOYSA-N
XLogP2.35
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide
CID 120597119
2-amino-2-methyl-N-(1-propylindol-6-yl)propanamide
CID 119331183
2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199
3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
CID 71990600
1-(2-hydroxy-3-methoxypropyl)-3-(1-propylindol-6-yl)urea
CID 111474971
2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride
CID 119797080
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
CID 119957554
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide (CID 120592934) is 4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide is CCCn1ccc2ccc(NC(=O)CC(CN)OC)cc21.
What is the InChIKey of 4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide?
The InChIKey is MTQOQUZGLOZPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-7-19-8-6-12-4-5-13(9-15(12)19)18-16(20)10-14(11-17)21-2/h4-6,8-9,14H,3,7,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide?
4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide has a molecular weight of 289.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide is sourced from PubChem (CID 120592934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).