2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide

C16H27F2N3O2 — CID 146513117

IUPAC2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(NCC(C)NC(=O)CC1CC1(F)F)C1CC1
InChIInChI=1S/C16H27F2N3O2/c1-9(2)20-15(23)14(11-4-5-11)19-8-10(3)21-13(22)6-12-7-16(12,17)18/h9-12,14,19H,4-8H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLQVVCLBCEHMVHO-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.43
Rot. Bonds9

About 2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide

2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide (PubChem CID 146513117) has the molecular formula C16H27F2N3O2 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide
PubChem CID146513117
Molecular FormulaC16H27F2N3O2
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC Name2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(NCC(C)NC(=O)CC1CC1(F)F)C1CC1
InChIInChI=1S/C16H27F2N3O2/c1-9(2)20-15(23)14(11-4-5-11)19-8-10(3)21-13(22)6-12-7-16(12,17)18/h9-12,14,19H,4-8H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLQVVCLBCEHMVHO-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-[(2,2,2-trifluoroethyl)amino]pentanamide
CID 23648297
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide
CID 10728135
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51077908
Tfa-Ile-Leu-Gly-NHBu
CID 71455700
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 45824813
2-methyl-N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 45881731
N-[2-cyclopropyl-2-[(2-methylcyclopropanecarbonyl)amino]ethyl]-2-methylcyclopropane-1-carboxamide
CID 71934691
N-[2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butyl]-2-methylcyclopropane-1-carboxamide
CID 72135427
2-cyclopropyl-N-[2-(2-cyclopropylpropanoylamino)-3,3,3-trifluoropropyl]propanamide
CID 132308729
N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 136531532
(2S)-2-amino-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 28174140

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide (CID 146513117) is 2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)C(NCC(C)NC(=O)CC1CC1(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide?
The InChIKey is LQVVCLBCEHMVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N3O2/c1-9(2)20-15(23)14(11-4-5-11)19-8-10(3)21-13(22)6-12-7-16(12,17)18/h9-12,14,19H,4-8H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide?
2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide has a molecular weight of 331.41 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 146513117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).