N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide

C14H22N2O2 — CID 104696422

IUPACN-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
SMILESCC(CO)C(C)NCC(=O)NCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(10-17)12(2)15-9-14(18)16-8-13-6-4-3-5-7-13/h3-7,11-12,15,17H,8-10H2,1-2H3,(H,16,18)
InChIKeyCXRZMJYPMSTREP-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.91
Rot. Bonds7

About N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide

N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide (PubChem CID 104696422) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
PubChem CID104696422
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
SMILESCC(CO)C(C)NCC(=O)NCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(10-17)12(2)15-9-14(18)16-8-13-6-4-3-5-7-13/h3-7,11-12,15,17H,8-10H2,1-2H3,(H,16,18)
InChIKeyCXRZMJYPMSTREP-UHFFFAOYSA-N
XLogP0.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036205
N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
N-benzyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917782
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108505
N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367300
N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133243
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
2-[4-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]acetic acid
CID 103265798

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide?
The IUPAC name of N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide (CID 104696422) is N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide is CC(CO)C(C)NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide?
The InChIKey is CXRZMJYPMSTREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(10-17)12(2)15-9-14(18)16-8-13-6-4-3-5-7-13/h3-7,11-12,15,17H,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide?
N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide has a molecular weight of 250.34 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 104696422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).