N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide

C17H27N3O3 — CID 143134984

IUPACN-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide
SMILESCc1cc(C(=O)NCCNC(=O)CN(C)C)ccc1OC(C)C
InChIInChI=1S/C17H27N3O3/c1-12(2)23-15-7-6-14(10-13(15)3)17(22)19-9-8-18-16(21)11-20(4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyAUVDZZDDYNQCFB-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.19
Rot. Bonds8

About N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide

N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide (PubChem CID 143134984) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide
PubChem CID143134984
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide
SMILESCc1cc(C(=O)NCCNC(=O)CN(C)C)ccc1OC(C)C
InChIInChI=1S/C17H27N3O3/c1-12(2)23-15-7-6-14(10-13(15)3)17(22)19-9-8-18-16(21)11-20(4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyAUVDZZDDYNQCFB-UHFFFAOYSA-N
XLogP1.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.19
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-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
CID 110762419
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
methyl 3-(3-methyl-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95461156
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747
2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051566
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 104578560
3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide
CID 143134875
2,2,2-trifluoro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82295021

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide (CID 143134984) is N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide is Cc1cc(C(=O)NCCNC(=O)CN(C)C)ccc1OC(C)C.
What is the InChIKey of N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide?
The InChIKey is AUVDZZDDYNQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)23-15-7-6-14(10-13(15)3)17(22)19-9-8-18-16(21)11-20(4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide?
N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide has a molecular weight of 321.42 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 143134984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).