2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide

C23H30N4O2 — CID 119871125

IUPAC2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide
SMILESNC(C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H30N4O2/c24-22(18-9-5-4-6-10-18)23(29)26-20-13-11-19(12-14-20)25-21(28)17-27-15-7-2-1-3-8-16-27/h4-6,9-14,22H,1-3,7-8,15-17,24H2,(H,25,28)(H,26,29)
InChIKeyQBNBNSLASPDZAG-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.53
Rot. Bonds6

About 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide

2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide (PubChem CID 119871125) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide
PubChem CID119871125
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide
SMILESNC(C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H30N4O2/c24-22(18-9-5-4-6-10-18)23(29)26-20-13-11-19(12-14-20)25-21(28)17-27-15-7-2-1-3-8-16-27/h4-6,9-14,22H,1-3,7-8,15-17,24H2,(H,25,28)(H,26,29)
InChIKeyQBNBNSLASPDZAG-UHFFFAOYSA-N
XLogP3.53
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 120669658
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide
CID 119865151
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride
CID 119865150
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
(2S)-2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3,3-dimethylbutanamide
CID 119871145
3-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylbutanamide;dihydrochloride
CID 120502947
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide
CID 119946943
2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119303626
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-amino-2-phenyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 119264312

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide (CID 119871125) is 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide is NC(C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide?
The InChIKey is QBNBNSLASPDZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c24-22(18-9-5-4-6-10-18)23(29)26-20-13-11-19(12-14-20)25-21(28)17-27-15-7-2-1-3-8-16-27/h4-6,9-14,22H,1-3,7-8,15-17,24H2,(H,25,28)(H,26,29).
What are the key properties of 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide?
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide has a molecular weight of 394.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 119871125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).