N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide

C20H28N2O2 — CID 18160783

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide
SMILESCOc1ccc(C(=O)NCCN(C(C)C)C(C)C)c2ccccc12
InChIInChI=1S/C20H28N2O2/c1-14(2)22(15(3)4)13-12-21-20(23)18-10-11-19(24-5)17-9-7-6-8-16(17)18/h6-11,14-15H,12-13H2,1-5H3,(H,21,23)
InChIKeyDTUKZJXWZSQAGS-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.70
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide (PubChem CID 18160783) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide
PubChem CID18160783
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide
SMILESCOc1ccc(C(=O)NCCN(C(C)C)C(C)C)c2ccccc12
InChIInChI=1S/C20H28N2O2/c1-14(2)22(15(3)4)13-12-21-20(23)18-10-11-19(24-5)17-9-7-6-8-16(17)18/h6-11,14-15H,12-13H2,1-5H3,(H,21,23)
InChIKeyDTUKZJXWZSQAGS-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide
CID 119431564
N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide
CID 34819371
4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]naphthalene-1-carboxamide
CID 112844412
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
N-[2-[di(propan-2-yl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8919197
N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide
CID 39467394
2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 39467305
N-[2-[di(propan-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 17461104
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
N-(3-chloro-2-methylpropyl)-2,3,4-trimethoxybenzamide
CID 114302515

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide (CID 18160783) is N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide is COc1ccc(C(=O)NCCN(C(C)C)C(C)C)c2ccccc12.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide?
The InChIKey is DTUKZJXWZSQAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)22(15(3)4)13-12-21-20(23)18-10-11-19(24-5)17-9-7-6-8-16(17)18/h6-11,14-15H,12-13H2,1-5H3,(H,21,23).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide is sourced from PubChem (CID 18160783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).