(2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide

C18H29N3O3 — CID 95156104

IUPAC(2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
SMILESCOCCCNC(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C
InChIInChI=1S/C18H29N3O3/c1-20(2)16(13-15-9-6-5-7-10-15)18(23)21(3)14-17(22)19-11-8-12-24-4/h5-7,9-10,16H,8,11-14H2,1-4H3,(H,19,22)/t16-/m1/s1
InChIKeyWCSKNYOAYBTZNT-MRXNPFEDSA-N
MW335.45 g/mol
LogP0.77
Rot. Bonds10

About (2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide

(2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide (PubChem CID 95156104) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
PubChem CID95156104
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
SMILESCOCCCNC(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C
InChIInChI=1S/C18H29N3O3/c1-20(2)16(13-15-9-6-5-7-10-15)18(23)21(3)14-17(22)19-11-8-12-24-4/h5-7,9-10,16H,8,11-14H2,1-4H3,(H,19,22)/t16-/m1/s1
InChIKeyWCSKNYOAYBTZNT-MRXNPFEDSA-N
XLogP0.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 61163818
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
2-[benzyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 133213974
(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide
CID 94777102
N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133236577
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
4-amino-5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-oxopentanoic acid
CID 64890489
(2S)-2-(3-methoxypropylcarbamoylamino)-3-phenylpropanoic acid
CID 2001021

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide (CID 95156104) is (2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide is COCCCNC(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is WCSKNYOAYBTZNT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-20(2)16(13-15-9-6-5-7-10-15)18(23)21(3)14-17(22)19-11-8-12-24-4/h5-7,9-10,16H,8,11-14H2,1-4H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
(2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 335.45 g/mol, XLogP of 0.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 95156104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).