2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide

C24H42N6O2 — CID 167840023

IUPAC2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide
SMILESCN(C)CCN(CCN(C)C)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1
InChIInChI=1S/C24H42N6O2/c1-27(2)16-18-30(19-17-28(3)4)24(32)26-22-12-10-21(11-13-22)25-23(31)20-29-14-8-6-5-7-9-15-29/h10-13H,5-9,14-20H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyPDFIKFBCPJOHEN-UHFFFAOYSA-N
MW446.64 g/mol
LogP2.85
Rot. Bonds10

About 2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide

2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide (PubChem CID 167840023) has the molecular formula C24H42N6O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide
PubChem CID167840023
Molecular FormulaC24H42N6O2
Molecular Weight446.64 g/mol
Exact Mass446.34
IUPAC Name2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide
SMILESCN(C)CCN(CCN(C)C)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1
InChIInChI=1S/C24H42N6O2/c1-27(2)16-18-30(19-17-28(3)4)24(32)26-22-12-10-21(11-13-22)25-23(31)20-29-14-8-6-5-7-9-15-29/h10-13H,5-9,14-20H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyPDFIKFBCPJOHEN-UHFFFAOYSA-N
XLogP2.85
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide
CID 54815065
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide (CID 167840023) is 2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide is CN(C)CCN(CCN(C)C)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1.
What is the InChIKey of 2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide?
The InChIKey is PDFIKFBCPJOHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O2/c1-27(2)16-18-30(19-17-28(3)4)24(32)26-22-12-10-21(11-13-22)25-23(31)20-29-14-8-6-5-7-9-15-29/h10-13H,5-9,14-20H2,1-4H3,(H,25,31)(H,26,32).
What are the key properties of 2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide?
2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide has a molecular weight of 446.64 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-[4-[bis[2-(dimethylamino)ethyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 167840023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).