N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride

C19H26ClN3O3 — CID 119620644

IUPACN-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1C(=O)c2ccccc2C1=O)NCCNC1CCCCCC1
InChIInChI=1S/C19H25N3O3.ClH/c23-17(21-12-11-20-14-7-3-1-2-4-8-14)13-22-18(24)15-9-5-6-10-16(15)19(22)25;/h5-6,9-10,14,20H,1-4,7-8,11-13H2,(H,21,23);1H
InChIKeyBVUHNSCKSOWNPL-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride (PubChem CID 119620644) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
PubChem CID119620644
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1C(=O)c2ccccc2C1=O)NCCNC1CCCCCC1
InChIInChI=1S/C19H25N3O3.ClH/c23-17(21-12-11-20-14-7-3-1-2-4-8-14)13-22-18(24)15-9-5-6-10-16(15)19(22)25;/h5-6,9-10,14,20H,1-4,7-8,11-13H2,(H,21,23);1H
InChIKeyBVUHNSCKSOWNPL-UHFFFAOYSA-N
XLogP2.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione
CID 119156682
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
trans-(1R,3R)-3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 97083300
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 71930321
N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 119619251
N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119620109
N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119621270
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119619374

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride (CID 119620644) is N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride is Cl.O=C(CN1C(=O)c2ccccc2C1=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
The InChIKey is BVUHNSCKSOWNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c23-17(21-12-11-20-14-7-3-1-2-4-8-14)13-22-18(24)15-9-5-6-10-16(15)19(22)25;/h5-6,9-10,14,20H,1-4,7-8,11-13H2,(H,21,23);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119620644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).