3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide

C17H29N3O — CID 62592624

IUPAC3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cccc(CCN)c1
InChIInChI=1S/C17H29N3O/c1-13(2)10-16(12-20(3)4)19-17(21)15-7-5-6-14(11-15)8-9-18/h5-7,11,13,16H,8-10,12,18H2,1-4H3,(H,19,21)
InChIKeyFAIARYZGDKSUDC-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.89
Rot. Bonds8

About 3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide

3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide (PubChem CID 62592624) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
PubChem CID62592624
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cccc(CCN)c1
InChIInChI=1S/C17H29N3O/c1-13(2)10-16(12-20(3)4)19-17(21)15-7-5-6-14(11-15)8-9-18/h5-7,11,13,16H,8-10,12,18H2,1-4H3,(H,19,21)
InChIKeyFAIARYZGDKSUDC-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61240501
3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 62592093
3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
CID 81472392
3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998097
3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 62592272
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide
CID 62181781
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217042

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide (CID 62592624) is 3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide is CC(C)CC(CN(C)C)NC(=O)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
The InChIKey is FAIARYZGDKSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)10-16(12-20(3)4)19-17(21)15-7-5-6-14(11-15)8-9-18/h5-7,11,13,16H,8-10,12,18H2,1-4H3,(H,19,21).
What are the key properties of 3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide has a molecular weight of 291.44 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide is sourced from PubChem (CID 62592624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).