N,N-dimethyl-4-(methylcarbamoylamino)butanamide

C8H17N3O2 — CID 59006534

IUPACN,N-dimethyl-4-(methylcarbamoylamino)butanamide
SMILESCNC(=O)NCCCC(=O)N(C)C
InChIInChI=1S/C8H17N3O2/c1-9-8(13)10-6-4-5-7(12)11(2)3/h4-6H2,1-3H3,(H2,9,10,13)
InChIKeyMVZFYICTJKTRLN-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.22
Rot. Bonds4

About N,N-dimethyl-4-(methylcarbamoylamino)butanamide

N,N-dimethyl-4-(methylcarbamoylamino)butanamide (PubChem CID 59006534) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N,N-dimethyl-4-(methylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(methylcarbamoylamino)butanamide
PubChem CID59006534
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN,N-dimethyl-4-(methylcarbamoylamino)butanamide
SMILESCNC(=O)NCCCC(=O)N(C)C
InChIInChI=1S/C8H17N3O2/c1-9-8(13)10-6-4-5-7(12)11(2)3/h4-6H2,1-3H3,(H2,9,10,13)
InChIKeyMVZFYICTJKTRLN-UHFFFAOYSA-N
XLogP-0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.22
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,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide
CID 166186517
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
[5-(dimethylamino)-5-oxopentyl]carbamic acid
CID 87506215
1-[8-(carbamoylamino)octyl]-3-methylurea
CID 129172713
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
CID 86082203
CID 59151849
CID 59151849
1-butyl-3-methylurea;hydrochloride
CID 20501295
7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
CID 119748258
1-methyl-3-nonylurea
CID 91937244
N,N-diethyl-3-(methylcarbamoylamino)propanamide
CID 115588408

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(methylcarbamoylamino)butanamide?
The IUPAC name of N,N-dimethyl-4-(methylcarbamoylamino)butanamide (CID 59006534) is N,N-dimethyl-4-(methylcarbamoylamino)butanamide.
What is the SMILES notation for N,N-dimethyl-4-(methylcarbamoylamino)butanamide?
The canonical SMILES for N,N-dimethyl-4-(methylcarbamoylamino)butanamide is CNC(=O)NCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-(methylcarbamoylamino)butanamide?
The InChIKey is MVZFYICTJKTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-9-8(13)10-6-4-5-7(12)11(2)3/h4-6H2,1-3H3,(H2,9,10,13).
What are the key properties of N,N-dimethyl-4-(methylcarbamoylamino)butanamide?
N,N-dimethyl-4-(methylcarbamoylamino)butanamide has a molecular weight of 187.24 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(methylcarbamoylamino)butanamide is sourced from PubChem (CID 59006534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).