5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride

C22H31Cl2N3O — CID 120646718

IUPAC5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC1(NC(C)c2ccccc2)CCCC1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-16-10-11-19(23)14-20(16)21(26)24-15-22(12-6-7-13-22)25-17(2)18-8-4-3-5-9-18;;/h3-5,8-11,14,17,25H,6-7,12-13,15,23H2,1-2H3,(H,24,26);2*1H
InChIKeyGTFPMTCVMRADCZ-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.81
Rot. Bonds6

About 5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride

5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride (PubChem CID 120646718) has the molecular formula C22H31Cl2N3O and a molecular weight of 424.42 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
PubChem CID120646718
Molecular FormulaC22H31Cl2N3O
Molecular Weight424.42 g/mol
Exact Mass423.18
IUPAC Name5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC1(NC(C)c2ccccc2)CCCC1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-16-10-11-19(23)14-20(16)21(26)24-15-22(12-6-7-13-22)25-17(2)18-8-4-3-5-9-18;;/h3-5,8-11,14,17,25H,6-7,12-13,15,23H2,1-2H3,(H,24,26);2*1H
InChIKeyGTFPMTCVMRADCZ-UHFFFAOYSA-N
XLogP4.81
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide
CID 86905785
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646720
5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
CID 120639082
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 120623335
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884553
3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
CID 120613142
2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide
CID 124625809
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119884554

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride (CID 120646718) is 5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)NCC1(NC(C)c2ccccc2)CCCC1.Cl.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride?
The InChIKey is GTFPMTCVMRADCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.2ClH/c1-16-10-11-19(23)14-20(16)21(26)24-15-22(12-6-7-13-22)25-17(2)18-8-4-3-5-9-18;;/h3-5,8-11,14,17,25H,6-7,12-13,15,23H2,1-2H3,(H,24,26);2*1H.
What are the key properties of 5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride?
5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride has a molecular weight of 424.42 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride is sourced from PubChem (CID 120646718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).