2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide

C11H23N3O2 — CID 62899086

IUPAC2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
SMILESCCC(C)NC(=O)CCNC(CC)C(N)=O
InChIInChI=1S/C11H23N3O2/c1-4-8(3)14-10(15)6-7-13-9(5-2)11(12)16/h8-9,13H,4-7H2,1-3H3,(H2,12,16)(H,14,15)
InChIKeyGJOIBUPFWCYNNH-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.14
Rot. Bonds8

About 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide (PubChem CID 62899086) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide.

Molecular Properties

Compound Name2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
PubChem CID62899086
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
SMILESCCC(C)NC(=O)CCNC(CC)C(N)=O
InChIInChI=1S/C11H23N3O2/c1-4-8(3)14-10(15)6-7-13-9(5-2)11(12)16/h8-9,13H,4-7H2,1-3H3,(H2,12,16)(H,14,15)
InChIKeyGJOIBUPFWCYNNH-UHFFFAOYSA-N
XLogP0.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749
N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230748
2-(butylamino)butanamide
CID 62901736
2-(2-aminoethylamino)butanamide
CID 62900229
3-amino-N-butan-2-ylpropanamide
CID 16784988
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
CID 54900963
N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
CID 61022080
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide
CID 77028304

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide?
The IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide (CID 62899086) is 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide.
What is the SMILES notation for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide?
The canonical SMILES for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide is CCC(C)NC(=O)CCNC(CC)C(N)=O.
What is the InChIKey of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide?
The InChIKey is GJOIBUPFWCYNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-8(3)14-10(15)6-7-13-9(5-2)11(12)16/h8-9,13H,4-7H2,1-3H3,(H2,12,16)(H,14,15).
What are the key properties of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide?
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide has a molecular weight of 229.32 g/mol, XLogP of 0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide is sourced from PubChem (CID 62899086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).