N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride

C18H29ClN4O2 — CID 120704274

IUPACN-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-19-13-17(23)20-15-7-9-16(10-8-15)21-18(24)14-22-11-5-3-2-4-6-12-22;/h7-10,19H,2-6,11-14H2,1H3,(H,20,23)(H,21,24);1H
InChIKeyFVRWORHEOGLHBY-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.47
Rot. Bonds6

About N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride

N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120704274) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120704274
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC NameN-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-19-13-17(23)20-15-7-9-16(10-8-15)21-18(24)14-22-11-5-3-2-4-6-12-22;/h7-10,19H,2-6,11-14H2,1H3,(H,20,23)(H,21,24);1H
InChIKeyFVRWORHEOGLHBY-UHFFFAOYSA-N
XLogP2.47
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
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
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-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
3-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylbutanamide;dihydrochloride
CID 120502947
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride (CID 120704274) is N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1.Cl.
What is the InChIKey of N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is FVRWORHEOGLHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-19-13-17(23)20-15-7-9-16(10-8-15)21-18(24)14-22-11-5-3-2-4-6-12-22;/h7-10,19H,2-6,11-14H2,1H3,(H,20,23)(H,21,24);1H.
What are the key properties of N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride?
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120704274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).