2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide

C17H29N3O — CID 79665033

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide
SMILESCCCN(CC(=O)NCc1ccccc1)CC(C)(C)CN
InChIInChI=1S/C17H29N3O/c1-4-10-20(14-17(2,3)13-18)12-16(21)19-11-15-8-6-5-7-9-15/h5-9H,4,10-14,18H2,1-3H3,(H,19,21)
InChIKeyQAXMXPFWAHYRRI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.00
Rot. Bonds9

About 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide (PubChem CID 79665033) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide
PubChem CID79665033
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide
SMILESCCCN(CC(=O)NCc1ccccc1)CC(C)(C)CN
InChIInChI=1S/C17H29N3O/c1-4-10-20(14-17(2,3)13-18)12-16(21)19-11-15-8-6-5-7-9-15/h5-9H,4,10-14,18H2,1-3H3,(H,19,21)
InChIKeyQAXMXPFWAHYRRI-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[ethyl(propyl)amino]acetamide
CID 142231835
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
N-benzyl-2-(diethylamino)acetamide
CID 969777
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide
CID 79662404
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
N-benzyl-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115666155
N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide
CID 79664554
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79665274
N-benzyl-4-[[2-(dipropylamino)acetyl]amino]benzamide
CID 54818841
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 79661188
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
2-[3-[[2-(benzylamino)-2-oxoethyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]propyl-(carboxymethyl)amino]acetic acid
CID 102214545

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide (CID 79665033) is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide is CCCN(CC(=O)NCc1ccccc1)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide?
The InChIKey is QAXMXPFWAHYRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-10-20(14-17(2,3)13-18)12-16(21)19-11-15-8-6-5-7-9-15/h5-9H,4,10-14,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide?
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide has a molecular weight of 291.44 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide is sourced from PubChem (CID 79665033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).