2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide

C13H25N3O2 — CID 47010650

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(C)CC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)6-7-14-12(17)8-16(3)9-13(18)15-11-4-5-11/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyVPHAFDNBKMVPDC-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.36
Rot. Bonds8

About 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide

2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide (PubChem CID 47010650) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
PubChem CID47010650
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(C)CC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)6-7-14-12(17)8-16(3)9-13(18)15-11-4-5-11/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyVPHAFDNBKMVPDC-UHFFFAOYSA-N
XLogP0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 79394037
N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
CID 87014178
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 79123116
4-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]butanoic acid
CID 55005840
2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide
CID 113166451
2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43442686
N-cyclopropyl-2-[(3-cyclopropyl-2-oxopropyl)-methylamino]acetamide
CID 58444119
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54925252
2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide
CID 113147921
N-cyclopropyl-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60670124

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide (CID 47010650) is 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is VPHAFDNBKMVPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)6-7-14-12(17)8-16(3)9-13(18)15-11-4-5-11/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide?
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 255.36 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 47010650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).