N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate

C30H42N4O3 — CID 162114928

IUPACN-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate
SMILESCC(C)C(=O)Nc1ccccc1N.CCN(CC)Cc1ccc2cc(COC(=O)NC(C)C)ccc2c1
InChIInChI=1S/C20H28N2O2.C10H14N2O/c1-5-22(6-2)13-16-7-9-19-12-17(8-10-18(19)11-16)14-24-20(23)21-15(3)4;1-7(2)10(13)12-9-6-4-3-5-8(9)11/h7-12,15H,5-6,13-14H2,1-4H3,(H,21,23);3-7H,11H2,1-2H3,(H,12,13)
InChIKeyZGQGNOOUAUSULV-UHFFFAOYSA-N
MW506.69 g/mol
LogP6.18
Rot. Bonds9

About N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate

N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate (PubChem CID 162114928) has the molecular formula C30H42N4O3 and a molecular weight of 506.69 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate
PubChem CID162114928
Molecular FormulaC30H42N4O3
Molecular Weight506.69 g/mol
Exact Mass506.33
IUPAC NameN-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate
SMILESCC(C)C(=O)Nc1ccccc1N.CCN(CC)Cc1ccc2cc(COC(=O)NC(C)C)ccc2c1
InChIInChI=1S/C20H28N2O2.C10H14N2O/c1-5-22(6-2)13-16-7-9-19-12-17(8-10-18(19)11-16)14-24-20(23)21-15(3)4;1-7(2)10(13)12-9-6-4-3-5-8(9)11/h7-12,15H,5-6,13-14H2,1-4H3,(H,21,23);3-7H,11H2,1-2H3,(H,12,13)
InChIKeyZGQGNOOUAUSULV-UHFFFAOYSA-N
XLogP6.18
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate
CID 71261390
benzyl N-[1-(2-amino-4-chloroanilino)-1-oxopropan-2-yl]carbamate
CID 59848583
N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;N-methoxy-2-methylpropanamide
CID 163775440
N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide
CID 159487082
2-[(3-amino-4-hydroxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54985803
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
3-[2-(diethylaminomethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898009
N-[2-(diethylaminomethyl)phenyl]-2-methoxypropanamide
CID 112685894
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide
CID 43712488
2-(2-aminoanilino)-2-(phenylmethoxycarbonylamino)acetic acid;ethane
CID 177058241
ethyl N-[2-(diethylaminomethyl)phenyl]carbamate
CID 61215408

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate?
The IUPAC name of N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate (CID 162114928) is N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate.
What is the SMILES notation for N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate?
The canonical SMILES for N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate is CC(C)C(=O)Nc1ccccc1N.CCN(CC)Cc1ccc2cc(COC(=O)NC(C)C)ccc2c1.
What is the InChIKey of N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate?
The InChIKey is ZGQGNOOUAUSULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.C10H14N2O/c1-5-22(6-2)13-16-7-9-19-12-17(8-10-18(19)11-16)14-24-20(23)21-15(3)4;1-7(2)10(13)12-9-6-4-3-5-8(9)11/h7-12,15H,5-6,13-14H2,1-4H3,(H,21,23);3-7H,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate?
N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate has a molecular weight of 506.69 g/mol, XLogP of 6.18, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 162114928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).