(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide

C15H28N4O2 — CID 9433393

IUPAC(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide
SMILESCCNC(=O)CN(CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C
InChIInChI=1S/C15H28N4O2/c1-7-17-13(20)9-19(8-2)12(5)14(21)18-15(6,10-16)11(3)4/h11-12H,7-9H2,1-6H3,(H,17,20)(H,18,21)/t12-,15+/m1/s1
InChIKeyHDBORUXOXJZYKN-DOMZBBRYSA-N
MW296.42 g/mol
LogP0.89
Rot. Bonds8

About (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide (PubChem CID 9433393) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide
PubChem CID9433393
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide
SMILESCCNC(=O)CN(CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C
InChIInChI=1S/C15H28N4O2/c1-7-17-13(20)9-19(8-2)12(5)14(21)18-15(6,10-16)11(3)4/h11-12H,7-9H2,1-6H3,(H,17,20)(H,18,21)/t12-,15+/m1/s1
InChIKeyHDBORUXOXJZYKN-DOMZBBRYSA-N
XLogP0.89
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide (CID 9433393) is (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide is CCNC(=O)CN(CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C.
What is the InChIKey of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is HDBORUXOXJZYKN-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-7-17-13(20)9-19(8-2)12(5)14(21)18-15(6,10-16)11(3)4/h11-12H,7-9H2,1-6H3,(H,17,20)(H,18,21)/t12-,15+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide?
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 296.42 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 9433393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).