2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide

C11H23N3O2 — CID 42910263

IUPAC2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)5-6-13-10(15)9(8(3)4)14-11(12)16/h7-9H,5-6H2,1-4H3,(H,13,15)(H3,12,14,16)
InChIKeyLCPUWYQMMKRPFM-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.84
Rot. Bonds6

About 2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide

2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide (PubChem CID 42910263) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
PubChem CID42910263
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)5-6-13-10(15)9(8(3)4)14-11(12)16/h7-9H,5-6H2,1-4H3,(H,13,15)(H3,12,14,16)
InChIKeyLCPUWYQMMKRPFM-UHFFFAOYSA-N
XLogP0.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 11748635
[(1R)-1-[[(2S)-2-aminobutanoyl]amino]-3-methylbutyl]boronic acid
CID 53362790
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CID 13783106
(3R)-3-(propan-2-yl)piperazine-2,5-dione
CID 736000
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 9839352
(S)-2-(3,3-Dimethyl-ureido)-4-methyl-pentanoic acid (3-ethylcarbamoyl-propyl)-amide
CID 44330887
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
(S)-3-Isopropyl-2,5-piperazinedione
CID 736942
Ac-leu-nhme
CID 6950977
3-Isopropyl-2,5-piperazine-dione
CID 139827

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide (CID 42910263) is 2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide is CC(C)CCNC(=O)C(NC(N)=O)C(C)C.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is LCPUWYQMMKRPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-7(2)5-6-13-10(15)9(8(3)4)14-11(12)16/h7-9H,5-6H2,1-4H3,(H,13,15)(H3,12,14,16).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide?
2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 229.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 42910263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).