2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide

C12H23N3O3 — CID 78957691

IUPAC2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCC1(C)COC1
InChIInChI=1S/C12H23N3O3/c1-4-8(2)9(15-11(13)17)10(16)14-5-12(3)6-18-7-12/h8-9H,4-7H2,1-3H3,(H,14,16)(H3,13,15,17)
InChIKeyIGGOITDXGJPXAW-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.22
Rot. Bonds6

About 2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide

2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide (PubChem CID 78957691) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
PubChem CID78957691
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCC1(C)COC1
InChIInChI=1S/C12H23N3O3/c1-4-8(2)9(15-11(13)17)10(16)14-5-12(3)6-18-7-12/h8-9H,4-7H2,1-3H3,(H,14,16)(H3,13,15,17)
InChIKeyIGGOITDXGJPXAW-UHFFFAOYSA-N
XLogP0.22
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
CID 84873517
1-[[[2-(carbamoylamino)-3-methylpentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445099
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65120019
2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide
CID 107330119
2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide
CID 115613559
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 83029431
(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
CID 94615950
3-methyl-2-[(3-methyloxetan-3-yl)methylamino]butanamide
CID 103914041
2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide
CID 107318472
6-[[2-(carbamoylamino)-3-methylpentanoyl]amino]hexanoic acid
CID 43352951
1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclobutane-1-carboxylic acid
CID 81158683

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide (CID 78957691) is 2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide is CCC(C)C(NC(N)=O)C(=O)NCC1(C)COC1.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide?
The InChIKey is IGGOITDXGJPXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-8(2)9(15-11(13)17)10(16)14-5-12(3)6-18-7-12/h8-9H,4-7H2,1-3H3,(H,14,16)(H3,13,15,17).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide?
2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide has a molecular weight of 257.33 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide is sourced from PubChem (CID 78957691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).