N-methyl-4-(propan-2-ylamino)butanamide

C8H18N2O — CID 21054795

IUPACN-methyl-4-(propan-2-ylamino)butanamide
SMILESCNC(=O)CCCNC(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)10-6-4-5-8(11)9-3/h7,10H,4-6H2,1-3H3,(H,9,11)
InChIKeyHOAYSFZZQMELCY-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.51
Rot. Bonds5

About N-methyl-4-(propan-2-ylamino)butanamide

N-methyl-4-(propan-2-ylamino)butanamide (PubChem CID 21054795) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-methyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-methyl-4-(propan-2-ylamino)butanamide
PubChem CID21054795
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-methyl-4-(propan-2-ylamino)butanamide
SMILESCNC(=O)CCCNC(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)10-6-4-5-8(11)9-3/h7,10H,4-6H2,1-3H3,(H,9,11)
InChIKeyHOAYSFZZQMELCY-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
CID 106915767
4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide
CID 115714185
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
CID 60850068
N-methyl-4-(sulfanylamino)butanamide
CID 59695052
methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate
CID 63892059
N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide
CID 126587174
2-[[2-[4-(propan-2-ylamino)butanoylamino]acetyl]amino]acetic acid
CID 61160831
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N,N'-dimethylheptanediamide
CID 15166696

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-methyl-4-(propan-2-ylamino)butanamide (CID 21054795) is N-methyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-methyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-methyl-4-(propan-2-ylamino)butanamide is CNC(=O)CCCNC(C)C.
What is the InChIKey of N-methyl-4-(propan-2-ylamino)butanamide?
The InChIKey is HOAYSFZZQMELCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)10-6-4-5-8(11)9-3/h7,10H,4-6H2,1-3H3,(H,9,11).
What are the key properties of N-methyl-4-(propan-2-ylamino)butanamide?
N-methyl-4-(propan-2-ylamino)butanamide has a molecular weight of 158.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 21054795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).