4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide

C14H29N3O — CID 79478006

IUPAC4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide
SMILESCCC(C)CN(CC)C(CN)CC(=O)NC1CC1
InChIInChI=1S/C14H29N3O/c1-4-11(3)10-17(5-2)13(9-15)8-14(18)16-12-6-7-12/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyRSQWASOOHCMYAG-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds9

About 4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide

4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide (PubChem CID 79478006) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide
PubChem CID79478006
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide
SMILESCCC(C)CN(CC)C(CN)CC(=O)NC1CC1
InChIInChI=1S/C14H29N3O/c1-4-11(3)10-17(5-2)13(9-15)8-14(18)16-12-6-7-12/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyRSQWASOOHCMYAG-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide (CID 79478006) is 4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide is CCC(C)CN(CC)C(CN)CC(=O)NC1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide?
The InChIKey is RSQWASOOHCMYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-11(3)10-17(5-2)13(9-15)8-14(18)16-12-6-7-12/h11-13H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide?
4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-[ethyl(2-methylbutyl)amino]butanamide is sourced from PubChem (CID 79478006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).