N-[2-(carbamoylamino)ethyl]but-2-ynamide

C7H11N3O2 — CID 130637362

IUPACN-[2-(carbamoylamino)ethyl]but-2-ynamide
SMILESCC#CC(=O)NCCNC(N)=O
InChIInChI=1S/C7H11N3O2/c1-2-3-6(11)9-4-5-10-7(8)12/h4-5H2,1H3,(H,9,11)(H3,8,10,12)
InChIKeyHDDCVKVLVRAFMR-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.21
Rot. Bonds3

About N-[2-(carbamoylamino)ethyl]but-2-ynamide

N-[2-(carbamoylamino)ethyl]but-2-ynamide (PubChem CID 130637362) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]but-2-ynamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]but-2-ynamide
PubChem CID130637362
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-[2-(carbamoylamino)ethyl]but-2-ynamide
SMILESCC#CC(=O)NCCNC(N)=O
InChIInChI=1S/C7H11N3O2/c1-2-3-6(11)9-4-5-10-7(8)12/h4-5H2,1H3,(H,9,11)(H3,8,10,12)
InChIKeyHDDCVKVLVRAFMR-UHFFFAOYSA-N
XLogP-1.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pent-3-ynylbut-2-ynamide
CID 107992893
3-(but-2-ynoylamino)propanoic acid
CID 107986385
N-(3-cyanopropyl)but-2-ynamide
CID 130918641
6-(but-2-ynoylamino)hexanoic acid
CID 107986364
N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide
CID 107989485
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
ethane;2-hydroxyethylurea
CID 144763401
N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide
CID 130709523
N-(2-chloroprop-2-enyl)but-2-ynamide
CID 106741496
1-(carbamoylamino)-2-(sulfinoamino)ethane
CID 90313674
3-trifluorosilylpropylurea
CID 174136032
pentylurea;hydrate
CID 172845599

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]but-2-ynamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]but-2-ynamide (CID 130637362) is N-[2-(carbamoylamino)ethyl]but-2-ynamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]but-2-ynamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]but-2-ynamide is CC#CC(=O)NCCNC(N)=O.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]but-2-ynamide?
The InChIKey is HDDCVKVLVRAFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-3-6(11)9-4-5-10-7(8)12/h4-5H2,1H3,(H,9,11)(H3,8,10,12).
What are the key properties of N-[2-(carbamoylamino)ethyl]but-2-ynamide?
N-[2-(carbamoylamino)ethyl]but-2-ynamide has a molecular weight of 169.18 g/mol, XLogP of -1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]but-2-ynamide is sourced from PubChem (CID 130637362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).