N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide

C13H27N3O2 — CID 113228551

IUPACN-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)NCC(=O)NCC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-10(4)16-13(18)11(5)14-8-12(17)15-7-9(2)3/h9-11,14H,6-8H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyCBJBQYNLOKBBND-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.65
Rot. Bonds8

About N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide

N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide (PubChem CID 113228551) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
PubChem CID113228551
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)NCC(=O)NCC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-10(4)16-13(18)11(5)14-8-12(17)15-7-9(2)3/h9-11,14H,6-8H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyCBJBQYNLOKBBND-UHFFFAOYSA-N
XLogP0.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 115598404
2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407011
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675191
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
CID 43089259

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide (CID 113228551) is N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide is CCC(C)NC(=O)C(C)NCC(=O)NCC(C)C.
What is the InChIKey of N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is CBJBQYNLOKBBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-10(4)16-13(18)11(5)14-8-12(17)15-7-9(2)3/h9-11,14H,6-8H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 113228551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).