(3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide

C13H27N3O2 — CID 97095456

IUPAC(3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide
SMILESCCC(C)(C)NC(=O)N[C@H](C)CC(=O)NC(C)C
InChIInChI=1S/C13H27N3O2/c1-7-13(5,6)16-12(18)15-10(4)8-11(17)14-9(2)3/h9-10H,7-8H2,1-6H3,(H,14,17)(H2,15,16,18)/t10-/m1/s1
InChIKeyPEMPRUJJNVCMPH-SNVBAGLBSA-N
MW257.38 g/mol
LogP1.78
Rot. Bonds6

About (3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide

(3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide (PubChem CID 97095456) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide
PubChem CID97095456
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide
SMILESCCC(C)(C)NC(=O)N[C@H](C)CC(=O)NC(C)C
InChIInChI=1S/C13H27N3O2/c1-7-13(5,6)16-12(18)15-10(4)8-11(17)14-9(2)3/h9-10H,7-8H2,1-6H3,(H,14,17)(H2,15,16,18)/t10-/m1/s1
InChIKeyPEMPRUJJNVCMPH-SNVBAGLBSA-N
XLogP1.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide?
The IUPAC name of (3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide (CID 97095456) is (3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for (3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for (3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide is CCC(C)(C)NC(=O)N[C@H](C)CC(=O)NC(C)C.
What is the InChIKey of (3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide?
The InChIKey is PEMPRUJJNVCMPH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-7-13(5,6)16-12(18)15-10(4)8-11(17)14-9(2)3/h9-10H,7-8H2,1-6H3,(H,14,17)(H2,15,16,18)/t10-/m1/s1.
What are the key properties of (3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide?
(3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 97095456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).