N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide

C29H32N4O4 — CID 58074153

IUPACN-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide
SMILESCOc1ccc(NC(=O)N(CCCCCCC(=O)NO)c2ccc(-c3ccc4cc[nH]c4c3)cc2)cc1
InChIInChI=1S/C29H32N4O4/c1-37-26-15-11-24(12-16-26)31-29(35)33(19-5-3-2-4-6-28(34)32-36)25-13-9-21(10-14-25)23-8-7-22-17-18-30-27(22)20-23/h7-18,20,30,36H,2-6,19H2,1H3,(H,31,35)(H,32,34)
InChIKeyBDMZHKPLGWQJFD-UHFFFAOYSA-N
MW500.60 g/mol
LogP6.34
Rot. Bonds11

About N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide

N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide (PubChem CID 58074153) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide
PubChem CID58074153
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC NameN-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide
SMILESCOc1ccc(NC(=O)N(CCCCCCC(=O)NO)c2ccc(-c3ccc4cc[nH]c4c3)cc2)cc1
InChIInChI=1S/C29H32N4O4/c1-37-26-15-11-24(12-16-26)31-29(35)33(19-5-3-2-4-6-28(34)32-36)25-13-9-21(10-14-25)23-8-7-22-17-18-30-27(22)20-23/h7-18,20,30,36H,2-6,19H2,1H3,(H,31,35)(H,32,34)
InChIKeyBDMZHKPLGWQJFD-UHFFFAOYSA-N
XLogP6.34
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 56.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-chlorophenyl)carbamoyl-(1H-indol-5-yl)amino]-N-hydroxyheptanamide
CID 142976522
N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide
CID 58074304
N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide
CID 58074272
4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide
CID 87113730
7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
CID 11372956
2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide
CID 142976467
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide
CID 87113790
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
CID 142976543
N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
CID 42704529
N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide
CID 155524459

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide?
The IUPAC name of N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide (CID 58074153) is N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide?
The canonical SMILES for N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide is COc1ccc(NC(=O)N(CCCCCCC(=O)NO)c2ccc(-c3ccc4cc[nH]c4c3)cc2)cc1.
What is the InChIKey of N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide?
The InChIKey is BDMZHKPLGWQJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-37-26-15-11-24(12-16-26)31-29(35)33(19-5-3-2-4-6-28(34)32-36)25-13-9-21(10-14-25)23-8-7-22-17-18-30-27(22)20-23/h7-18,20,30,36H,2-6,19H2,1H3,(H,31,35)(H,32,34).
What are the key properties of N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide?
N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide has a molecular weight of 500.60 g/mol, XLogP of 6.34, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide is sourced from PubChem (CID 58074153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).