N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide

C29H41N3O3 — CID 24838842

IUPACN-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
SMILESCCCN(CCC)C(=O)C(Cc1ccc(OCCN2CCCC2)cc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C29H41N3O3/c1-4-16-32(17-5-2)29(34)27(30-28(33)25-12-8-23(3)9-13-25)22-24-10-14-26(15-11-24)35-21-20-31-18-6-7-19-31/h8-15,27H,4-7,16-22H2,1-3H3,(H,30,33)
InChIKeyLYGXAOGLQRUCNH-UHFFFAOYSA-N
MW479.67 g/mol
LogP4.46
Rot. Bonds13

About N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide

N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide (PubChem CID 24838842) has the molecular formula C29H41N3O3 and a molecular weight of 479.67 g/mol. Its IUPAC name is N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
PubChem CID24838842
Molecular FormulaC29H41N3O3
Molecular Weight479.67 g/mol
Exact Mass479.31
IUPAC NameN-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
SMILESCCCN(CCC)C(=O)C(Cc1ccc(OCCN2CCCC2)cc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C29H41N3O3/c1-4-16-32(17-5-2)29(34)27(30-28(33)25-12-8-23(3)9-13-25)22-24-10-14-26(15-11-24)35-21-20-31-18-6-7-19-31/h8-15,27H,4-7,16-22H2,1-3H3,(H,30,33)
InChIKeyLYGXAOGLQRUCNH-UHFFFAOYSA-N
XLogP4.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid
CID 58748865
4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane
CID 143299998
4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 94013585
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide;methane
CID 159107919
N-[(2S)-1-(hydroxyamino)-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
CID 71452975
N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride
CID 22137378
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
CID 3079543
4-tert-butyl-N-[3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 144758545
N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide
CID 11950190

Frequently Asked Questions

What is the IUPAC name of N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide (CID 24838842) is N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide is CCCN(CCC)C(=O)C(Cc1ccc(OCCN2CCCC2)cc1)NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide?
The InChIKey is LYGXAOGLQRUCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O3/c1-4-16-32(17-5-2)29(34)27(30-28(33)25-12-8-23(3)9-13-25)22-24-10-14-26(15-11-24)35-21-20-31-18-6-7-19-31/h8-15,27H,4-7,16-22H2,1-3H3,(H,30,33).
What are the key properties of N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide?
N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide has a molecular weight of 479.67 g/mol, XLogP of 4.46, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 24838842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).