N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide

C12H25N3O2 — CID 60850068

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
SMILESCCNC(=O)C(C)NC(=O)CCCNC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-13-12(17)10(4)15-11(16)7-6-8-14-9(2)3/h9-10,14H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyXGJAKXIHFHBVHM-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds8

About N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide (PubChem CID 60850068) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
PubChem CID60850068
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
SMILESCCNC(=O)C(C)NC(=O)CCCNC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-13-12(17)10(4)15-11(16)7-6-8-14-9(2)3/h9-10,14H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyXGJAKXIHFHBVHM-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
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

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
CID 162387449
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
(2R)-2-[4-(propan-2-ylamino)butanoylamino]pentanoic acid
CID 107565030
2-[4-(propan-2-ylamino)butanoylamino]pentanoic acid
CID 61160086
3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
CID 61157375
5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide
CID 107908685
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]butanamide
CID 8756915
N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide
CID 126587174

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide (CID 60850068) is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide is CCNC(=O)C(C)NC(=O)CCCNC(C)C.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide?
The InChIKey is XGJAKXIHFHBVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-13-12(17)10(4)15-11(16)7-6-8-14-9(2)3/h9-10,14H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).