N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide

C12H23N3O2 — CID 113219499

IUPACN-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
SMILESCCC(C)NC(=O)CNCCNC(=O)C1CC1
InChIInChI=1S/C12H23N3O2/c1-3-9(2)15-11(16)8-13-6-7-14-12(17)10-4-5-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyFDJGIFMYPXCPBL-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds8

About N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 113219499) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID113219499
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
SMILESCCC(C)NC(=O)CNCCNC(=O)C1CC1
InChIInChI=1S/C12H23N3O2/c1-3-9(2)15-11(16)8-13-6-7-14-12(17)10-4-5-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyFDJGIFMYPXCPBL-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
CID 97095660
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 54901063
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 110943948
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]acetamide
CID 43180189
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
N-[2-(pentan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 75525140
N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964905
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide
CID 115574760

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide (CID 113219499) is N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide is CCC(C)NC(=O)CNCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is FDJGIFMYPXCPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-9(2)15-11(16)8-13-6-7-14-12(17)10-4-5-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113219499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).