N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide

C24H32N2O4 — CID 42958527

IUPACN-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide
SMILESCOc1cc(C(C)NC(=O)CCCNC(=O)c2ccccc2)ccc1OCC(C)C
InChIInChI=1S/C24H32N2O4/c1-17(2)16-30-21-13-12-20(15-22(21)29-4)18(3)26-23(27)11-8-14-25-24(28)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,17-18H,8,11,14,16H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyJRQWFJWYFVUHDD-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.12
Rot. Bonds11

About N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide

N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide (PubChem CID 42958527) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide
PubChem CID42958527
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide
SMILESCOc1cc(C(C)NC(=O)CCCNC(=O)c2ccccc2)ccc1OCC(C)C
InChIInChI=1S/C24H32N2O4/c1-17(2)16-30-21-13-12-20(15-22(21)29-4)18(3)26-23(27)11-8-14-25-24(28)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,17-18H,8,11,14,16H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyJRQWFJWYFVUHDD-UHFFFAOYSA-N
XLogP4.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 51940490
N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257
2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119732092
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 55639036
methyl 2-[4-[(3,4-dimethoxybenzoyl)amino]butanoylamino]-3-phenylpropanoate
CID 51064831
2,4-dichloro-N-[2-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 46415115
N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
CID 46807320
2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 51940486

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide (CID 42958527) is N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide is COc1cc(C(C)NC(=O)CCCNC(=O)c2ccccc2)ccc1OCC(C)C.
What is the InChIKey of N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide?
The InChIKey is JRQWFJWYFVUHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-17(2)16-30-21-13-12-20(15-22(21)29-4)18(3)26-23(27)11-8-14-25-24(28)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,17-18H,8,11,14,16H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide?
N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide has a molecular weight of 412.53 g/mol, XLogP of 4.12, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 42958527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).