N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide

C11H21N3O2 — CID 43587286

IUPACN-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide
SMILESCCCN(CC1CC1)C(=O)C(=O)NCCN
InChIInChI=1S/C11H21N3O2/c1-2-7-14(8-9-3-4-9)11(16)10(15)13-6-5-12/h9H,2-8,12H2,1H3,(H,13,15)
InChIKeyNIOXTSWMOCXRMP-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds6

About N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide

N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide (PubChem CID 43587286) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide
PubChem CID43587286
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide
SMILESCCCN(CC1CC1)C(=O)C(=O)NCCN
InChIInChI=1S/C11H21N3O2/c1-2-7-14(8-9-3-4-9)11(16)10(15)13-6-5-12/h9H,2-8,12H2,1H3,(H,13,15)
InChIKeyNIOXTSWMOCXRMP-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
CID 43587245
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
methyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 115575376
3-amino-N-(cyclohexylmethyl)-N-propylpropanamide
CID 119302227
(2S)-4-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838868
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 116674986
2-amino-N-(cyclopropylmethyl)-2-methyl-N-propylbutanamide
CID 79796804
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
(2S)-4-amino-2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717362
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide (CID 43587286) is N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide is CCCN(CC1CC1)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide?
The InChIKey is NIOXTSWMOCXRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-7-14(8-9-3-4-9)11(16)10(15)13-6-5-12/h9H,2-8,12H2,1H3,(H,13,15).
What are the key properties of N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide?
N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide has a molecular weight of 227.31 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide is sourced from PubChem (CID 43587286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).