N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide

C27H24N4O4 — CID 4547663

IUPACN,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)NN=Cc1ccc2ccccc2c1O)NN=Cc1ccc2ccccc2c1O
InChIInChI=1S/C27H24N4O4/c32-24(30-28-16-20-14-12-18-6-1-3-8-22(18)26(20)34)10-5-11-25(33)31-29-17-21-15-13-19-7-2-4-9-23(19)27(21)35/h1-4,6-9,12-17,34-35H,5,10-11H2,(H,30,32)(H,31,33)
InChIKeyKBSQPDOVRCTPCH-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.17
Rot. Bonds8

About N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide

N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide (PubChem CID 4547663) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
PubChem CID4547663
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC NameN,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)NN=Cc1ccc2ccccc2c1O)NN=Cc1ccc2ccccc2c1O
InChIInChI=1S/C27H24N4O4/c32-24(30-28-16-20-14-12-18-6-1-3-8-22(18)26(20)34)10-5-11-25(33)31-29-17-21-15-13-19-7-2-4-9-23(19)27(21)35/h1-4,6-9,12-17,34-35H,5,10-11H2,(H,30,32)(H,31,33)
InChIKeyKBSQPDOVRCTPCH-UHFFFAOYSA-N
XLogP4.17
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide
CID 135605985
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 5177464
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 135752096
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-2-phenoxyacetamide
CID 4164317
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519
2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 4670148
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide?
The IUPAC name of N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide (CID 4547663) is N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide.
What is the SMILES notation for N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide?
The canonical SMILES for N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide is O=C(CCCC(=O)NN=Cc1ccc2ccccc2c1O)NN=Cc1ccc2ccccc2c1O.
What is the InChIKey of N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide?
The InChIKey is KBSQPDOVRCTPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c32-24(30-28-16-20-14-12-18-6-1-3-8-22(18)26(20)34)10-5-11-25(33)31-29-17-21-15-13-19-7-2-4-9-23(19)27(21)35/h1-4,6-9,12-17,34-35H,5,10-11H2,(H,30,32)(H,31,33).
What are the key properties of N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide?
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide has a molecular weight of 468.51 g/mol, XLogP of 4.17, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide is sourced from PubChem (CID 4547663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).