N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide

C8H17N3O3 — CID 115665848

IUPACN-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)NC(N)=O
InChIInChI=1S/C8H17N3O3/c1-6(12)3-4-11(2)5-7(13)10-8(9)14/h6,12H,3-5H2,1-2H3,(H3,9,10,13,14)
InChIKeyCEXRGQJEEWQVCC-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.12
Rot. Bonds5

About N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide

N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide (PubChem CID 115665848) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
PubChem CID115665848
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)NC(N)=O
InChIInChI=1S/C8H17N3O3/c1-6(12)3-4-11(2)5-7(13)10-8(9)14/h6,12H,3-5H2,1-2H3,(H3,9,10,13,14)
InChIKeyCEXRGQJEEWQVCC-UHFFFAOYSA-N
XLogP-1.12
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
CID 115665851
N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 113246222
2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111488551
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
2-[methyl(3-methylbutyl)amino]acetohydrazide
CID 63578577
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665697
N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494
methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate
CID 102470041
methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate
CID 62335232
2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 111488794

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide?
The IUPAC name of N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide (CID 115665848) is N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide?
The canonical SMILES for N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide is CC(O)CCN(C)CC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide?
The InChIKey is CEXRGQJEEWQVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-6(12)3-4-11(2)5-7(13)10-8(9)14/h6,12H,3-5H2,1-2H3,(H3,9,10,13,14).
What are the key properties of N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide?
N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide has a molecular weight of 203.24 g/mol, XLogP of -1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide is sourced from PubChem (CID 115665848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).