N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide

C22H29N3O4 — CID 30314343

IUPACN-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2OC)N(C)C)cc1
InChIInChI=1S/C22H29N3O4/c1-25(2)19(16-9-11-17(28-3)12-10-16)15-24-21(26)13-14-23-22(27)18-7-5-6-8-20(18)29-4/h5-12,19H,13-15H2,1-4H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyRHNVQEQLIRERSI-IBGZPJMESA-N
MW399.49 g/mol
LogP2.24
Rot. Bonds10

About N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide

N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide (PubChem CID 30314343) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide
PubChem CID30314343
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2OC)N(C)C)cc1
InChIInChI=1S/C22H29N3O4/c1-25(2)19(16-9-11-17(28-3)12-10-16)15-24-21(26)13-14-23-22(27)18-7-5-6-8-20(18)29-4/h5-12,19H,13-15H2,1-4H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyRHNVQEQLIRERSI-IBGZPJMESA-N
XLogP2.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 42905308
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 2121688
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 43072622
2,3-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]benzamide
CID 4882899

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide (CID 30314343) is N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide is COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2OC)N(C)C)cc1.
What is the InChIKey of N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is RHNVQEQLIRERSI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O4/c1-25(2)19(16-9-11-17(28-3)12-10-16)15-24-21(26)13-14-23-22(27)18-7-5-6-8-20(18)29-4/h5-12,19H,13-15H2,1-4H3,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 399.49 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 30314343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).