N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide

C11H23N3O2 — CID 43061704

IUPACN-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide
SMILESCC(N(C)CCC(=O)NC(N)=O)C(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-8(11(2,3)4)14(5)7-6-9(15)13-10(12)16/h8H,6-7H2,1-5H3,(H3,12,13,15,16)
InChIKeyBHWVYTFAHBYNGR-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.94
Rot. Bonds4

About N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide

N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide (PubChem CID 43061704) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide
PubChem CID43061704
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide
SMILESCC(N(C)CCC(=O)NC(N)=O)C(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-8(11(2,3)4)14(5)7-6-9(15)13-10(12)16/h8H,6-7H2,1-5H3,(H3,12,13,15,16)
InChIKeyBHWVYTFAHBYNGR-UHFFFAOYSA-N
XLogP0.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide
CID 63585409
N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide
CID 55006991
N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 60706598
2-[3-(carbamoylamino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354164
5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide
CID 76912512
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate
CID 55143354
2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide
CID 34442127
N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062077
3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide
CID 62324423
2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 61011603
2-[methyl-[3-oxo-3-(2,2,2-trifluoroethylcarbamoylamino)propyl]amino]propanoic acid
CID 119912871

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide?
The IUPAC name of N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide (CID 43061704) is N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide is CC(N(C)CCC(=O)NC(N)=O)C(C)(C)C.
What is the InChIKey of N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide?
The InChIKey is BHWVYTFAHBYNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(11(2,3)4)14(5)7-6-9(15)13-10(12)16/h8H,6-7H2,1-5H3,(H3,12,13,15,16).
What are the key properties of N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide?
N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide has a molecular weight of 229.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide is sourced from PubChem (CID 43061704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).