2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide

C12H23N3O2 — CID 119778156

IUPAC2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(NC(=O)CNCC1CC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-12(2,3)10(11(13)17)15-9(16)7-14-6-8-4-5-8/h8,10,14H,4-7H2,1-3H3,(H2,13,17)(H,15,16)
InChIKeyDBWYKMWWEFVCQZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.00
Rot. Bonds6

About 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide

2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide (PubChem CID 119778156) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide
PubChem CID119778156
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(NC(=O)CNCC1CC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-12(2,3)10(11(13)17)15-9(16)7-14-6-8-4-5-8/h8,10,14H,4-7H2,1-3H3,(H2,13,17)(H,15,16)
InChIKeyDBWYKMWWEFVCQZ-UHFFFAOYSA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide?
The IUPAC name of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide (CID 119778156) is 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide?
The canonical SMILES for 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide is CC(C)(C)C(NC(=O)CNCC1CC1)C(N)=O.
What is the InChIKey of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide?
The InChIKey is DBWYKMWWEFVCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)10(11(13)17)15-9(16)7-14-6-8-4-5-8/h8,10,14H,4-7H2,1-3H3,(H2,13,17)(H,15,16).
What are the key properties of 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide?
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide is sourced from PubChem (CID 119778156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).