4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide

C16H26N2O2 — CID 120654055

IUPAC4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(OC(C)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-13(4)20-15-9-7-14(8-10-15)16(19)18-11-12(3)17-6-2/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,18,19)/t12-,13?/m1/s1
InChIKeyQHICTVQVKJKKOM-PZORYLMUSA-N
MW278.40 g/mol
LogP2.59
Rot. Bonds8

About 4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide

4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide (PubChem CID 120654055) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
PubChem CID120654055
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(OC(C)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-13(4)20-15-9-7-14(8-10-15)16(19)18-11-12(3)17-6-2/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,18,19)/t12-,13?/m1/s1
InChIKeyQHICTVQVKJKKOM-PZORYLMUSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120651678
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150551
N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120654100
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569
4-butan-2-yloxybenzoic acid
CID 5132695
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367835

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide (CID 120654055) is 4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide is CCN[C@H](C)CNC(=O)c1ccc(OC(C)CC)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide?
The InChIKey is QHICTVQVKJKKOM-PZORYLMUSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-13(4)20-15-9-7-14(8-10-15)16(19)18-11-12(3)17-6-2/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,18,19)/t12-,13?/m1/s1.
What are the key properties of 4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide?
4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide is sourced from PubChem (CID 120654055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).