4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide

C10H21N3O2 — CID 60865224

IUPAC4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
SMILESCC(C)NC(=O)C(C)NCCCC(N)=O
InChIInChI=1S/C10H21N3O2/c1-7(2)13-10(15)8(3)12-6-4-5-9(11)14/h7-8,12H,4-6H2,1-3H3,(H2,11,14)(H,13,15)
InChIKeyCLEVPSGGRJHTFV-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.25
Rot. Bonds7

About 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide

4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide (PubChem CID 60865224) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide.

Molecular Properties

Compound Name4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
PubChem CID60865224
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
SMILESCC(C)NC(=O)C(C)NCCCC(N)=O
InChIInChI=1S/C10H21N3O2/c1-7(2)13-10(15)8(3)12-6-4-5-9(11)14/h7-8,12H,4-6H2,1-3H3,(H2,11,14)(H,13,15)
InChIKeyCLEVPSGGRJHTFV-UHFFFAOYSA-N
XLogP-0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
CID 103262467
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
4-(2,6-dimethylheptan-4-ylamino)butanamide
CID 60863746
2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
CID 43553504
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
3-(propan-2-ylamino)propanamide
CID 18768059
2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide
CID 43236665
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786

Frequently Asked Questions

What is the IUPAC name of 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide?
The IUPAC name of 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide (CID 60865224) is 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide.
What is the SMILES notation for 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide?
The canonical SMILES for 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide is CC(C)NC(=O)C(C)NCCCC(N)=O.
What is the InChIKey of 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide?
The InChIKey is CLEVPSGGRJHTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(2)13-10(15)8(3)12-6-4-5-9(11)14/h7-8,12H,4-6H2,1-3H3,(H2,11,14)(H,13,15).
What are the key properties of 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide?
4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide has a molecular weight of 215.30 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide is sourced from PubChem (CID 60865224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).