7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene

C30H42N4O3 — CID 142976499

IUPAC7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene
SMILESC/C=C(\C)NC.C=CCc1ccccc1.O=CN(CCCCCCC(=O)NO)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H21N3O3.C9H10.C5H11N/c20-12-19(10-4-2-1-3-5-16(21)18-22)14-6-7-15-13(11-14)8-9-17-15;1-2-6-9-7-4-3-5-8-9;1-4-5(2)6-3/h6-9,11-12,17,22H,1-5,10H2,(H,18,21);2-5,7-8H,1,6H2;4,6H,1-3H3/b;;5-4+
InChIKeyDDQSVGSFRNOUSP-XMOYFUIDSA-N
MW506.69 g/mol
LogP6.13
Rot. Bonds12

About 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene

7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene (PubChem CID 142976499) has the molecular formula C30H42N4O3 and a molecular weight of 506.69 g/mol. Its IUPAC name is 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene.

Molecular Properties

Compound Name7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene
PubChem CID142976499
Molecular FormulaC30H42N4O3
Molecular Weight506.69 g/mol
Exact Mass506.33
IUPAC Name7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene
SMILESC/C=C(\C)NC.C=CCc1ccccc1.O=CN(CCCCCCC(=O)NO)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H21N3O3.C9H10.C5H11N/c20-12-19(10-4-2-1-3-5-16(21)18-22)14-6-7-15-13(11-14)8-9-17-15;1-2-6-9-7-4-3-5-8-9;1-4-5(2)6-3/h6-9,11-12,17,22H,1-5,10H2,(H,18,21);2-5,7-8H,1,6H2;4,6H,1-3H3/b;;5-4+
InChIKeyDDQSVGSFRNOUSP-XMOYFUIDSA-N
XLogP6.13
TPSA97.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 56.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide
CID 58074271
7-[(4-chlorophenyl)carbamoyl-(1H-indol-5-yl)amino]-N-hydroxyheptanamide
CID 142976522
4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide
CID 87113730
N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide
CID 58074304
7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide
CID 142976542
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
CID 11372956
N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide
CID 58074153
1-(1H-indol-5-yl)-1-pentylhydrazine
CID 70097000
4-[benzyl(2-phenylethyl)amino]-N-hydroxybutanamide
CID 155156496
N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide
CID 58074272
2-methylidenehexanoic acid;prop-2-enylbenzene
CID 67727241

Frequently Asked Questions

What is the IUPAC name of 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene?
The IUPAC name of 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene (CID 142976499) is 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene.
What is the SMILES notation for 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene?
The canonical SMILES for 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene is C/C=C(\C)NC.C=CCc1ccccc1.O=CN(CCCCCCC(=O)NO)c1ccc2[nH]ccc2c1.
What is the InChIKey of 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene?
The InChIKey is DDQSVGSFRNOUSP-XMOYFUIDSA-N. The full InChI is InChI=1S/C16H21N3O3.C9H10.C5H11N/c20-12-19(10-4-2-1-3-5-16(21)18-22)14-6-7-15-13(11-14)8-9-17-15;1-2-6-9-7-4-3-5-8-9;1-4-5(2)6-3/h6-9,11-12,17,22H,1-5,10H2,(H,18,21);2-5,7-8H,1,6H2;4,6H,1-3H3/b;;5-4+.
What are the key properties of 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene?
7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene has a molecular weight of 506.69 g/mol, XLogP of 6.13, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene is sourced from PubChem (CID 142976499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).