N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide

C24H32N2O3 — CID 40639547

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C24H32N2O3/c1-4-15-28-22-13-9-20(10-14-22)24(27)26(18-23-6-5-16-29-23)17-19-7-11-21(12-8-19)25(2)3/h7-14,23H,4-6,15-18H2,1-3H3/t23-/m0/s1
InChIKeyUAPUZXIGNNSMFV-QHCPKHFHSA-N
MW396.53 g/mol
LogP4.36
Rot. Bonds9

About N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide

N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide (PubChem CID 40639547) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide
PubChem CID40639547
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C24H32N2O3/c1-4-15-28-22-13-9-20(10-14-22)24(27)26(18-23-6-5-16-29-23)17-19-7-11-21(12-8-19)25(2)3/h7-14,23H,4-6,15-18H2,1-3H3/t23-/m0/s1
InChIKeyUAPUZXIGNNSMFV-QHCPKHFHSA-N
XLogP4.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55360775
N-[[4-(dimethylamino)phenyl]methyl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 78840852
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40841722
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95283628
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 51177762
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 55455486
N-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 19118894
N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40639553
3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 9120104
4-[[ethyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512059
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78806114
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-5-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 55360752

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide (CID 40639547) is N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide?
The InChIKey is UAPUZXIGNNSMFV-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-15-28-22-13-9-20(10-14-22)24(27)26(18-23-6-5-16-29-23)17-19-7-11-21(12-8-19)25(2)3/h7-14,23H,4-6,15-18H2,1-3H3/t23-/m0/s1.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide has a molecular weight of 396.53 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide is sourced from PubChem (CID 40639547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).