N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide

C15H23N3O3 — CID 126442109

IUPACN-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide
SMILESCC[C@@H](C)Oc1cccc(CNC(=O)CN(C)C(N)=O)c1
InChIInChI=1S/C15H23N3O3/c1-4-11(2)21-13-7-5-6-12(8-13)9-17-14(19)10-18(3)15(16)20/h5-8,11H,4,9-10H2,1-3H3,(H2,16,20)(H,17,19)/t11-/m1/s1
InChIKeyGETKSLTWSMLFQP-LLVKDONJSA-N
MW293.37 g/mol
LogP1.49
Rot. Bonds7

About N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide

N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide (PubChem CID 126442109) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide
PubChem CID126442109
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide
SMILESCC[C@@H](C)Oc1cccc(CNC(=O)CN(C)C(N)=O)c1
InChIInChI=1S/C15H23N3O3/c1-4-11(2)21-13-7-5-6-12(8-13)9-17-14(19)10-18(3)15(16)20/h5-8,11H,4,9-10H2,1-3H3,(H2,16,20)(H,17,19)/t11-/m1/s1
InChIKeyGETKSLTWSMLFQP-LLVKDONJSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
3-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-methyl-1-[(3-methyl-4-pyridinyl)methyl]urea
CID 125436932
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
1-[[3-[(2S)-butan-2-yl]oxyphenyl]methyl]-3-cyclobutylurea
CID 125437513
1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea
CID 122559038
1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
CID 54849301
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 54804849
2-(dipropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 87016214
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
N-[(3-butan-2-yloxyphenyl)methyl]hexadecan-1-amine
CID 54847916
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide?
The IUPAC name of N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide (CID 126442109) is N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide.
What is the SMILES notation for N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide?
The canonical SMILES for N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide is CC[C@@H](C)Oc1cccc(CNC(=O)CN(C)C(N)=O)c1.
What is the InChIKey of N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide?
The InChIKey is GETKSLTWSMLFQP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-11(2)21-13-7-5-6-12(8-13)9-17-14(19)10-18(3)15(16)20/h5-8,11H,4,9-10H2,1-3H3,(H2,16,20)(H,17,19)/t11-/m1/s1.
What are the key properties of N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide?
N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide is sourced from PubChem (CID 126442109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).