3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide

C14H23N3O2 — CID 100619898

IUPAC3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
SMILESCC[C@@H](C)Nc1ccc(C(=O)NCCOC)cc1N
InChIInChI=1S/C14H23N3O2/c1-4-10(2)17-13-6-5-11(9-12(13)15)14(18)16-7-8-19-3/h5-6,9-10,17H,4,7-8,15H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyDEUIFENPNIZYKF-SNVBAGLBSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds7

About 3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide

3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 100619898) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID100619898
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
SMILESCC[C@@H](C)Nc1ccc(C(=O)NCCOC)cc1N
InChIInChI=1S/C14H23N3O2/c1-4-10(2)17-13-6-5-11(9-12(13)15)14(18)16-7-8-19-3/h5-6,9-10,17H,4,7-8,15H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyDEUIFENPNIZYKF-SNVBAGLBSA-N
XLogP1.86
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
CID 133167178
3-amino-4-[[(2R)-butan-2-yl]amino]-N-cyclopropylbenzamide
CID 100619856
ethyl 3-amino-4-(butan-2-ylamino)benzoate
CID 56828466
3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
CID 100625211
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
CID 82990775
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100629126
3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
CID 133167175
3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide
CID 100625742
3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
CID 100619240

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide (CID 100619898) is 3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide is CC[C@@H](C)Nc1ccc(C(=O)NCCOC)cc1N.
What is the InChIKey of 3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is DEUIFENPNIZYKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-10(2)17-13-6-5-11(9-12(13)15)14(18)16-7-8-19-3/h5-6,9-10,17H,4,7-8,15H2,1-3H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide?
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 265.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100619898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).