N-carbamoyl-2-(2-methylbutylamino)acetamide

C8H17N3O2 — CID 62691808

IUPACN-carbamoyl-2-(2-methylbutylamino)acetamide
SMILESCCC(C)CNCC(=O)NC(N)=O
InChIInChI=1S/C8H17N3O2/c1-3-6(2)4-10-5-7(12)11-8(9)13/h6,10H,3-5H2,1-2H3,(H3,9,11,12,13)
InChIKeySNMCORVDBHHHRA-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.18
Rot. Bonds5

About N-carbamoyl-2-(2-methylbutylamino)acetamide

N-carbamoyl-2-(2-methylbutylamino)acetamide (PubChem CID 62691808) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-carbamoyl-2-(2-methylbutylamino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-methylbutylamino)acetamide
PubChem CID62691808
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-carbamoyl-2-(2-methylbutylamino)acetamide
SMILESCCC(C)CNCC(=O)NC(N)=O
InChIInChI=1S/C8H17N3O2/c1-3-6(2)4-10-5-7(12)11-8(9)13/h6,10H,3-5H2,1-2H3,(H3,9,11,12,13)
InChIKeySNMCORVDBHHHRA-UHFFFAOYSA-N
XLogP-0.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylbutylamino)ethylurea
CID 83109541
1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
CID 62691599
2-methylbutylurea
CID 22179633
N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide
CID 114616996
carbamoylurea;propane-1,1-diol
CID 174530984
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 28568651
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008
N-methyl-2-(2-methylbutylamino)-N-propan-2-ylacetamide
CID 62691596
N-carbamoyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473770
2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-methylpropanamide
CID 61464497
methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate
CID 60661713
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-methylbutylamino)acetamide?
The IUPAC name of N-carbamoyl-2-(2-methylbutylamino)acetamide (CID 62691808) is N-carbamoyl-2-(2-methylbutylamino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(2-methylbutylamino)acetamide?
The canonical SMILES for N-carbamoyl-2-(2-methylbutylamino)acetamide is CCC(C)CNCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2-methylbutylamino)acetamide?
The InChIKey is SNMCORVDBHHHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-3-6(2)4-10-5-7(12)11-8(9)13/h6,10H,3-5H2,1-2H3,(H3,9,11,12,13).
What are the key properties of N-carbamoyl-2-(2-methylbutylamino)acetamide?
N-carbamoyl-2-(2-methylbutylamino)acetamide has a molecular weight of 187.24 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-methylbutylamino)acetamide is sourced from PubChem (CID 62691808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).