2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride

C18H26ClN3O2 — CID 119783983

IUPAC2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCCCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(11-19-10-14-7-8-14)20-9-3-6-18(23)21-12-15-4-1-2-5-16(15)13-21;/h1-2,4-5,14,19H,3,6-13H2,(H,20,22);1H
InChIKeyAUDUKFCLJHDAFY-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.85
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride (PubChem CID 119783983) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride
PubChem CID119783983
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCCCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(11-19-10-14-7-8-14)20-9-3-6-18(23)21-12-15-4-1-2-5-16(15)13-21;/h1-2,4-5,14,19H,3,6-13H2,(H,20,22);1H
InChIKeyAUDUKFCLJHDAFY-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340
2-(cyclopropylmethylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 71940480
4-amino-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]pentanamide;hydrochloride
CID 120562655
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119772272
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
CID 119785804
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride
CID 119849545
3-amino-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-methylbutanamide;hydrochloride
CID 120500823
N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide
CID 56787217
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944
N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide
CID 119323819

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride (CID 119783983) is 2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCCCC(=O)N1Cc2ccccc2C1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride?
The InChIKey is AUDUKFCLJHDAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c22-17(11-19-10-14-7-8-14)20-9-3-6-18(23)21-12-15-4-1-2-5-16(15)13-21;/h1-2,4-5,14,19H,3,6-13H2,(H,20,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride is sourced from PubChem (CID 119783983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).