N-butyl-2-(carbamoylamino)acetamide;propane

C10H23N3O2 — CID 142017204

IUPACN-butyl-2-(carbamoylamino)acetamide;propane
SMILESCCC.CCCCNC(=O)CNC(N)=O
InChIInChI=1S/C7H15N3O2.C3H8/c1-2-3-4-9-6(11)5-10-7(8)12;1-3-2/h2-5H2,1H3,(H,9,11)(H3,8,10,12);3H2,1-2H3
InChIKeyKVRAZGBDUUWMIH-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.99
Rot. Bonds5

About N-butyl-2-(carbamoylamino)acetamide;propane

N-butyl-2-(carbamoylamino)acetamide;propane (PubChem CID 142017204) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-butyl-2-(carbamoylamino)acetamide;propane.

Molecular Properties

Compound NameN-butyl-2-(carbamoylamino)acetamide;propane
PubChem CID142017204
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN-butyl-2-(carbamoylamino)acetamide;propane
SMILESCCC.CCCCNC(=O)CNC(N)=O
InChIInChI=1S/C7H15N3O2.C3H8/c1-2-3-4-9-6(11)5-10-7(8)12;1-3-2/h2-5H2,1H3,(H,9,11)(H3,8,10,12);3H2,1-2H3
InChIKeyKVRAZGBDUUWMIH-UHFFFAOYSA-N
XLogP0.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(carbamothioylamino)acetamide
CID 86103798
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
[2-(butylamino)-2-oxoethyl]carbamothioic S-acid
CID 130217522
N'-butylbutanediamide
CID 12550556
butylurea;silicic acid
CID 86735760
2-[(2-bromoacetyl)amino]-N-butylacetamide
CID 82110073
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
pentylurea;hydrate
CID 172845599
2-(carbamoylamino)-N-[2-(diethylamino)ethyl]acetamide
CID 127518867
(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962524
N-butyl-2-sulfanylacetamide;propane
CID 153354639
3-butoxypropylurea
CID 115575573

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(carbamoylamino)acetamide;propane?
The IUPAC name of N-butyl-2-(carbamoylamino)acetamide;propane (CID 142017204) is N-butyl-2-(carbamoylamino)acetamide;propane.
What is the SMILES notation for N-butyl-2-(carbamoylamino)acetamide;propane?
The canonical SMILES for N-butyl-2-(carbamoylamino)acetamide;propane is CCC.CCCCNC(=O)CNC(N)=O.
What is the InChIKey of N-butyl-2-(carbamoylamino)acetamide;propane?
The InChIKey is KVRAZGBDUUWMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.C3H8/c1-2-3-4-9-6(11)5-10-7(8)12;1-3-2/h2-5H2,1H3,(H,9,11)(H3,8,10,12);3H2,1-2H3.
What are the key properties of N-butyl-2-(carbamoylamino)acetamide;propane?
N-butyl-2-(carbamoylamino)acetamide;propane has a molecular weight of 217.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(carbamoylamino)acetamide;propane is sourced from PubChem (CID 142017204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).