N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide

C17H27N3O — CID 60936936

IUPACN-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)CNCC1CC1
InChIInChI=1S/C17H27N3O/c1-19(2)10-11-20(14-16-6-4-3-5-7-16)17(21)13-18-12-15-8-9-15/h3-7,15,18H,8-14H2,1-2H3
InChIKeySDOQDTVCJBANOV-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.58
Rot. Bonds9

About N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide

N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 60936936) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID60936936
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)CNCC1CC1
InChIInChI=1S/C17H27N3O/c1-19(2)10-11-20(14-16-6-4-3-5-7-16)17(21)13-18-12-15-8-9-15/h3-7,15,18H,8-14H2,1-2H3
InChIKeySDOQDTVCJBANOV-UHFFFAOYSA-N
XLogP1.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-ethylacetamide
CID 108994441
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate
CID 10768459
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681545
N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
CID 80662251
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide (CID 60936936) is N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCN(Cc1ccccc1)C(=O)CNCC1CC1.
What is the InChIKey of N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is SDOQDTVCJBANOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(2)10-11-20(14-16-6-4-3-5-7-16)17(21)13-18-12-15-8-9-15/h3-7,15,18H,8-14H2,1-2H3.
What are the key properties of N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide?
N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 60936936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).