N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide

C13H27N3O2 — CID 54916358

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)CCNC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-9-16(10-13(18)15(4)5)12(17)7-8-14-11(2)3/h11,14H,6-10H2,1-5H3
InChIKeyHESGOIKDYWXKCS-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.70
Rot. Bonds8

About N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide (PubChem CID 54916358) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
PubChem CID54916358
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)CCNC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-9-16(10-13(18)15(4)5)12(17)7-8-14-11(2)3/h11,14H,6-10H2,1-5H3
InChIKeyHESGOIKDYWXKCS-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 54916205
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
CID 54869110
2-(dimethylamino)-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 165447342
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-(methylamino)-N-propylpropanamide
CID 79202204
N,N-dipentyl-4-(propan-2-ylamino)butanamide
CID 60947135
N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide
CID 55121481
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide
CID 60946665
2-(cyclopentylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 54916119
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61042046
3-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62668667

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide (CID 54916358) is N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide is CCCN(CC(=O)N(C)C)C(=O)CCNC(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide?
The InChIKey is HESGOIKDYWXKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-9-16(10-13(18)15(4)5)12(17)7-8-14-11(2)3/h11,14H,6-10H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide is sourced from PubChem (CID 54916358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).