N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride

C14H20ClN3O2 — CID 119742072

IUPACN-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10-2-4-11(5-3-10)12(18)16-8-9-17-13(19)14(15)6-7-14;/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyVOPBRIQRVYARGN-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.75
Rot. Bonds5

About N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride

N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride (PubChem CID 119742072) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride
PubChem CID119742072
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10-2-4-11(5-3-10)12(18)16-8-9-17-13(19)14(15)6-7-14;/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyVOPBRIQRVYARGN-UHFFFAOYSA-N
XLogP0.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
CID 119742010
N-[2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]ethyl]-4-methylbenzamide
CID 115452960
N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
CID 119299556
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119278245
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride (CID 119742072) is N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NCCNC(=O)C2(N)CC2)cc1.Cl.
What is the InChIKey of N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride?
The InChIKey is VOPBRIQRVYARGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-10-2-4-11(5-3-10)12(18)16-8-9-17-13(19)14(15)6-7-14;/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride?
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119742072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).