2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide

C16H33N3O — CID 79480286

IUPAC2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide
SMILESCCC(C)CN(CC)CC(NC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C16H33N3O/c1-6-13(5)10-19(7-2)11-16(15(17)20,14-8-9-14)18-12(3)4/h12-14,18H,6-11H2,1-5H3,(H2,17,20)
InChIKeyVWNORKCSBIKBME-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds10

About 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide (PubChem CID 79480286) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide
PubChem CID79480286
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide
SMILESCCC(C)CN(CC)CC(NC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C16H33N3O/c1-6-13(5)10-19(7-2)11-16(15(17)20,14-8-9-14)18-12(3)4/h12-14,18H,6-11H2,1-5H3,(H2,17,20)
InChIKeyVWNORKCSBIKBME-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
CID 79480101
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propanamide
CID 63909966
2-cyclopropyl-3-[ethyl(2-methylpropyl)amino]-2-(propylamino)propanamide
CID 63908718
2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]-2-(propylamino)propanamide
CID 63910757
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)propanamide
CID 63909325
2-amino-2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]propan-1-ol
CID 79469873
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propyl)amino]propanamide
CID 63911092
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide
CID 107871018
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2-methylpropyl)amino]propanoate
CID 63906222
2-(butan-2-ylamino)-2-cyclopropylbutanamide
CID 64917414
2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 66103202
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanamide
CID 63918574

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide (CID 79480286) is 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide is CCC(C)CN(CC)CC(NC(C)C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide?
The InChIKey is VWNORKCSBIKBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-13(5)10-19(7-2)11-16(15(17)20,14-8-9-14)18-12(3)4/h12-14,18H,6-11H2,1-5H3,(H2,17,20).
What are the key properties of 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 79480286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).