(2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide

C17H27N3O4 — CID 126454840

IUPAC(2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
SMILESCCOc1cccc(CN(CCO)C(=O)N[C@@H](C)C(=O)N(C)C)c1
InChIInChI=1S/C17H27N3O4/c1-5-24-15-8-6-7-14(11-15)12-20(9-10-21)17(23)18-13(2)16(22)19(3)4/h6-8,11,13,21H,5,9-10,12H2,1-4H3,(H,18,23)/t13-/m0/s1
InChIKeyAWMGTGKVDOURFK-ZDUSSCGKSA-N
MW337.42 g/mol
LogP1.07
Rot. Bonds8

About (2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide

(2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide (PubChem CID 126454840) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
PubChem CID126454840
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name(2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
SMILESCCOc1cccc(CN(CCO)C(=O)N[C@@H](C)C(=O)N(C)C)c1
InChIInChI=1S/C17H27N3O4/c1-5-24-15-8-6-7-14(11-15)12-20(9-10-21)17(23)18-13(2)16(22)19(3)4/h6-8,11,13,21H,5,9-10,12H2,1-4H3,(H,18,23)/t13-/m0/s1
InChIKeyAWMGTGKVDOURFK-ZDUSSCGKSA-N
XLogP1.07
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
CID 125443269
2-(3-chloro-4-hydroxyphenyl)-N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)acetamide
CID 47000419
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353229
N-ethyl-2-(3-ethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 60653414
N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide
CID 547381
3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
CID 71655123
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide
CID 96547643
2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60872987

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide (CID 126454840) is (2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide is CCOc1cccc(CN(CCO)C(=O)N[C@@H](C)C(=O)N(C)C)c1.
What is the InChIKey of (2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide?
The InChIKey is AWMGTGKVDOURFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-5-24-15-8-6-7-14(11-15)12-20(9-10-21)17(23)18-13(2)16(22)19(3)4/h6-8,11,13,21H,5,9-10,12H2,1-4H3,(H,18,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide?
(2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3-ethoxyphenyl)methyl-(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 126454840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).