N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide

C16H21N3O2 — CID 144920872

IUPACN-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide
SMILESC=C(O)C(N)CCCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-11(20)14(17)6-4-8-18-16(21)9-12-10-19-15-7-3-2-5-13(12)15/h2-3,5,7,10,14,19-20H,1,4,6,8-9,17H2,(H,18,21)
InChIKeyZJGRWSRVCFTKLY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.01
Rot. Bonds7

About N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide

N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 144920872) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide
PubChem CID144920872
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide
SMILESC=C(O)C(N)CCCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-11(20)14(17)6-4-8-18-16(21)9-12-10-19-15-7-3-2-5-13(12)15/h2-3,5,7,10,14,19-20H,1,4,6,8-9,17H2,(H,18,21)
InChIKeyZJGRWSRVCFTKLY-UHFFFAOYSA-N
XLogP2.01
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide
CID 23660155
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
N-(3-ethenoxypropyl)-2-(1H-indol-3-yl)acetamide
CID 60654256
N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide
CID 71392573
N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
CID 113256112
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
CID 47029588
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide (CID 144920872) is N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide is C=C(O)C(N)CCCNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is ZJGRWSRVCFTKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(20)14(17)6-4-8-18-16(21)9-12-10-19-15-7-3-2-5-13(12)15/h2-3,5,7,10,14,19-20H,1,4,6,8-9,17H2,(H,18,21).
What are the key properties of N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide?
N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 144920872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).