N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C14H29N3O2 — CID 119656130

IUPACN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H29N3O2/c1-10(16-12(19)13(2,3)4)11(18)17(7)9-14(5,6)8-15/h10H,8-9,15H2,1-7H3,(H,16,19)
InChIKeyPAQWFQMKVHUGKW-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.98
Rot. Bonds5

About N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 119656130) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID119656130
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H29N3O2/c1-10(16-12(19)13(2,3)4)11(18)17(7)9-14(5,6)8-15/h10H,8-9,15H2,1-7H3,(H,16,19)
InChIKeyPAQWFQMKVHUGKW-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7019037
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CID 58080388
N,N'-diisopropyloxamide
CID 245845
N,N'-1,2-propanediylbis(2,2-dimethylpropanamide)
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2-(1,4-diazepan-1-yl)-N-(propan-2-yl)acetamide
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2-Acetamidopropanamide
CID 152381

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 119656130) is N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is PAQWFQMKVHUGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-10(16-12(19)13(2,3)4)11(18)17(7)9-14(5,6)8-15/h10H,8-9,15H2,1-7H3,(H,16,19).
What are the key properties of N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 271.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119656130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).